acetonitrile;N-[[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;4,7-dichloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one

C77H101Cl5F3N15O8Si — CID 161447613

IUPACacetonitrile;N-[[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;4,7-dichloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCC#N.CC(C)c1nccc(CCCCO[Si](C)(C)C(C)(C)C)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl.CCCCCc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21.CCCCCc1ccnc(C(C)C)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1
InChIInChI=1S/C25H35Cl2FN4O3Si.C20H21Cl2FN4O.C20H22ClFN4O2.C10H20N2O2.C2H3N/c1-15(2)19-20(30-24(34)32-23(33)17-14-18(28)22(27)31-21(17)26)16(11-12-29-19)10-8-9-13-35-36(6,7)25(3,4)5;1-4-5-6-7-12-8-9-24-15(11(2)3)16(12)27-19-13(17(21)26-20(27)28)10-14(23)18(22)25-19;1-4-5-6-7-12-8-9-23-15(11(2)3)16(12)26-18-13(19(27)25-20(26)28)10-14(22)17(21)24-18;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-2-3/h11-12,14-15H,8-10,13H2,1-7H3,(H2,30,32,33,34);8-11H,4-7H2,1-3H3;8-11H,4-7H2,1-3H3,(H,25,27,28);8,11H,5-7H2,1-4H3;1H3/t;;;8-;/m...0./s1
InChIKeyWACFLSQYGVKPRU-GGBVFPFFSA-N
MW1627.10 g/mol
LogP18.69
Rot. Bonds21

About acetonitrile;N-[[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;4,7-dichloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one

acetonitrile;N-[[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;4,7-dichloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 161447613) has the molecular formula C77H101Cl5F3N15O8Si and a molecular weight of 1627.10 g/mol. Its IUPAC name is acetonitrile;N-[[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;4,7-dichloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Nameacetonitrile;N-[[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;4,7-dichloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID161447613
Molecular FormulaC77H101Cl5F3N15O8Si
Molecular Weight1627.10 g/mol
Exact Mass1623.61
IUPAC Nameacetonitrile;N-[[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;4,7-dichloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCC#N.CC(C)c1nccc(CCCCO[Si](C)(C)C(C)(C)C)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl.CCCCCc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21.CCCCCc1ccnc(C(C)C)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1
InChIInChI=1S/C25H35Cl2FN4O3Si.C20H21Cl2FN4O.C20H22ClFN4O2.C10H20N2O2.C2H3N/c1-15(2)19-20(30-24(34)32-23(33)17-14-18(28)22(27)31-21(17)26)16(11-12-29-19)10-8-9-13-35-36(6,7)25(3,4)5;1-4-5-6-7-12-8-9-24-15(11(2)3)16(12)27-19-13(17(21)26-20(27)28)10-14(23)18(22)25-19;1-4-5-6-7-12-8-9-23-15(11(2)3)16(12)26-18-13(19(27)25-20(26)28)10-14(22)17(21)24-18;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-2-3/h11-12,14-15H,8-10,13H2,1-7H3,(H2,30,32,33,34);8-11H,4-7H2,1-3H3;8-11H,4-7H2,1-3H3,(H,25,27,28);8,11H,5-7H2,1-4H3;1H3/t;;;8-;/m...0./s1
InChIKeyWACFLSQYGVKPRU-GGBVFPFFSA-N
XLogP18.69
TPSA299.88 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001627.10
LogP ≤ 518.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze acetonitrile;N-[[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;4,7-dichloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[5-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-4-methyl-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
CID 156678295
1-[4-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
CID 156678308
1-[5-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
CID 156678320
1-[4-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
CID 156678346
1-[4-[4-[Tert-butyl(dimethyl)silyl]oxy-3,3-difluorobutyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
CID 156678384
1-[5-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-2-propyl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
CID 173939975
1-[4-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-2-propyl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
CID 174091283
tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;4,7-dichloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;4-methyl-2-propan-2-ylpyridin-3-amine
CID 157237141
tert-butyl (3S)-4-[6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;tris(6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione);3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;methane;phosphane
CID 157254987
1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,6,7-trichloropyrido[2,3-d]pyrimidin-2-one;(2S,5S)-2,5-dimethylpiperidine;(2-fluoro-6-formylphenyl)boronic acid;2-propan-2-yl-4-propylpyridin-3-amine;2,5,6-trichloro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide
CID 157281827
potassium;4,6-bis(ethenyl)pyrimidin-5-amine;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6,7-dichloro-1-(4,6-diethylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione;4,6-dichloropyrimidin-5-amine;2,4-diethylpyridin-3-amine;4,6-diethylpyrimidin-5-amine;ethenyl(difluoro)borane;2,5,6-trichloro-N-[(2,4-diethyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;fluoride
CID 157324512
7-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-1-(4-methyl-5-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-chloro-6-fluoro-1-(4-methyl-5-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;2,6-dichloro-5-fluoro-N-[(4-methyl-5-pentyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxamide;(2S,5S)-2,5-dimethylpiperidine;4-methyl-5-pentyl-2-propan-2-ylpyridin-3-amine
CID 157403875

Frequently Asked Questions

What is the IUPAC name of acetonitrile;N-[[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;4,7-dichloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of acetonitrile;N-[[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;4,7-dichloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one (CID 161447613) is acetonitrile;N-[[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;4,7-dichloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for acetonitrile;N-[[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;4,7-dichloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for acetonitrile;N-[[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;4,7-dichloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one is CC#N.CC(C)c1nccc(CCCCO[Si](C)(C)C(C)(C)C)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl.CCCCCc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21.CCCCCc1ccnc(C(C)C)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1.
What is the InChIKey of acetonitrile;N-[[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;4,7-dichloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is WACFLSQYGVKPRU-GGBVFPFFSA-N. The full InChI is InChI=1S/C25H35Cl2FN4O3Si.C20H21Cl2FN4O.C20H22ClFN4O2.C10H20N2O2.C2H3N/c1-15(2)19-20(30-24(34)32-23(33)17-14-18(28)22(27)31-21(17)26)16(11-12-29-19)10-8-9-13-35-36(6,7)25(3,4)5;1-4-5-6-7-12-8-9-24-15(11(2)3)16(12)27-19-13(17(21)26-20(27)28)10-14(23)18(22)25-19;1-4-5-6-7-12-8-9-23-15(11(2)3)16(12)26-18-13(19(27)25-20(26)28)10-14(22)17(21)24-18;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-2-3/h11-12,14-15H,8-10,13H2,1-7H3,(H2,30,32,33,34);8-11H,4-7H2,1-3H3;8-11H,4-7H2,1-3H3,(H,25,27,28);8,11H,5-7H2,1-4H3;1H3/t;;;8-;/m...0./s1.
What are the key properties of acetonitrile;N-[[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;4,7-dichloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?
acetonitrile;N-[[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;4,7-dichloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1627.10 g/mol, XLogP of 18.69, 21 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;N-[[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;4,7-dichloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 161447613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).