7-[4-(1-aminocyclobutyl)phenyl]-6-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[4-(4-methoxy-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate;7-chloro-4-methoxy-6-phenylpyrido[2,3-d]pyrimidine;4-chloro-6-phenyl-8H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride

C100H101BCl3N15O10 — CID 159453465

IUPAC7-[4-(1-aminocyclobutyl)phenyl]-6-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[4-(4-methoxy-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate;7-chloro-4-methoxy-6-phenylpyrido[2,3-d]pyrimidine;4-chloro-6-phenyl-8H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride
SMILESCC(C)(C)OC(=O)NC1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCC1.COc1ncnc2nc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)cc12.COc1ncnc2nc(Cl)c(-c3ccccc3)cc12.Cl.NC1(c2ccc(-c3nc4nc[nH]c(=O)c4cc3-c3ccccc3)cc2)CCC1.O=c1[nH]c2ncnc(Cl)c2cc1-c1ccccc1
InChIInChI=1S/C29H30N4O3.C23H20N4O.C21H32BNO4.C14H10ClN3O.C13H8ClN3O.ClH/c1-28(2,3)36-27(34)33-29(15-8-16-29)21-13-11-20(12-14-21)24-22(19-9-6-5-7-10-19)17-23-25(32-24)30-18-31-26(23)35-4;24-23(11-4-12-23)17-9-7-16(8-10-17)20-18(15-5-2-1-3-6-15)13-19-21(27-20)25-14-26-22(19)28;1-18(2,3)25-17(24)23-21(13-8-14-21)15-9-11-16(12-10-15)22-26-19(4,5)20(6,7)27-22;1-19-14-11-7-10(9-5-3-2-4-6-9)12(15)18-13(11)16-8-17-14;14-11-10-6-9(8-4-2-1-3-5-8)13(18)17-12(10)16-7-15-11;/h5-7,9-14,17-18H,8,15-16H2,1-4H3,(H,33,34);1-3,5-10,13-14H,4,11-12,24H2,(H,25,26,27,28);9-12H,8,13-14H2,1-7H3,(H,23,24);2-8H,1H3;1-7H,(H,15,16,17,18);1H
InChIKeyCYSAAAZTBZGSPK-UHFFFAOYSA-N
MW1790.17 g/mol
LogP20.57
Rot. Bonds14

About 7-[4-(1-aminocyclobutyl)phenyl]-6-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[4-(4-methoxy-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate;7-chloro-4-methoxy-6-phenylpyrido[2,3-d]pyrimidine;4-chloro-6-phenyl-8H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride

7-[4-(1-aminocyclobutyl)phenyl]-6-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[4-(4-methoxy-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate;7-chloro-4-methoxy-6-phenylpyrido[2,3-d]pyrimidine;4-chloro-6-phenyl-8H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride (PubChem CID 159453465) has the molecular formula C100H101BCl3N15O10 and a molecular weight of 1790.17 g/mol. Its IUPAC name is 7-[4-(1-aminocyclobutyl)phenyl]-6-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[4-(4-methoxy-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate;7-chloro-4-methoxy-6-phenylpyrido[2,3-d]pyrimidine;4-chloro-6-phenyl-8H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride.

Molecular Properties

Compound Name7-[4-(1-aminocyclobutyl)phenyl]-6-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[4-(4-methoxy-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate;7-chloro-4-methoxy-6-phenylpyrido[2,3-d]pyrimidine;4-chloro-6-phenyl-8H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride
PubChem CID159453465
Molecular FormulaC100H101BCl3N15O10
Molecular Weight1790.17 g/mol
Exact Mass1787.70
IUPAC Name7-[4-(1-aminocyclobutyl)phenyl]-6-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[4-(4-methoxy-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate;7-chloro-4-methoxy-6-phenylpyrido[2,3-d]pyrimidine;4-chloro-6-phenyl-8H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride
SMILESCC(C)(C)OC(=O)NC1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCC1.COc1ncnc2nc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)cc12.COc1ncnc2nc(Cl)c(-c3ccccc3)cc12.Cl.NC1(c2ccc(-c3nc4nc[nH]c(=O)c4cc3-c3ccccc3)cc2)CCC1.O=c1[nH]c2ncnc(Cl)c2cc1-c1ccccc1
InChIInChI=1S/C29H30N4O3.C23H20N4O.C21H32BNO4.C14H10ClN3O.C13H8ClN3O.ClH/c1-28(2,3)36-27(34)33-29(15-8-16-29)21-13-11-20(12-14-21)24-22(19-9-6-5-7-10-19)17-23-25(32-24)30-18-31-26(23)35-4;24-23(11-4-12-23)17-9-7-16(8-10-17)20-18(15-5-2-1-3-6-15)13-19-21(27-20)25-14-26-22(19)28;1-18(2,3)25-17(24)23-21(13-8-14-21)15-9-11-16(12-10-15)22-26-19(4,5)20(6,7)27-22;1-19-14-11-7-10(9-5-3-2-4-6-9)12(15)18-13(11)16-8-17-14;14-11-10-6-9(8-4-2-1-3-5-8)13(18)17-12(10)16-7-15-11;/h5-7,9-14,17-18H,8,15-16H2,1-4H3,(H,33,34);1-3,5-10,13-14H,4,11-12,24H2,(H,25,26,27,28);9-12H,8,13-14H2,1-7H3,(H,23,24);2-8H,1H3;1-7H,(H,15,16,17,18);1H
InChIKeyCYSAAAZTBZGSPK-UHFFFAOYSA-N
XLogP20.57
TPSA334.22 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001790.17
LogP ≤ 520.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 7-[4-(1-aminocyclobutyl)phenyl]-6-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[4-(4-methoxy-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate;7-chloro-4-methoxy-6-phenylpyrido[2,3-d]pyrimidine;4-chloro-6-phenyl-8H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(1-aminocyclobutyl)phenyl]-6-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[4-(4-methoxy-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate;7-chloro-4-methoxy-6-phenylpyrido[2,3-d]pyrimidine;4-chloro-6-phenyl-8H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The IUPAC name of 7-[4-(1-aminocyclobutyl)phenyl]-6-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[4-(4-methoxy-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate;7-chloro-4-methoxy-6-phenylpyrido[2,3-d]pyrimidine;4-chloro-6-phenyl-8H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride (CID 159453465) is 7-[4-(1-aminocyclobutyl)phenyl]-6-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[4-(4-methoxy-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate;7-chloro-4-methoxy-6-phenylpyrido[2,3-d]pyrimidine;4-chloro-6-phenyl-8H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride.
What is the SMILES notation for 7-[4-(1-aminocyclobutyl)phenyl]-6-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[4-(4-methoxy-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate;7-chloro-4-methoxy-6-phenylpyrido[2,3-d]pyrimidine;4-chloro-6-phenyl-8H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The canonical SMILES for 7-[4-(1-aminocyclobutyl)phenyl]-6-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[4-(4-methoxy-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate;7-chloro-4-methoxy-6-phenylpyrido[2,3-d]pyrimidine;4-chloro-6-phenyl-8H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride is CC(C)(C)OC(=O)NC1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCC1.COc1ncnc2nc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)cc12.COc1ncnc2nc(Cl)c(-c3ccccc3)cc12.Cl.NC1(c2ccc(-c3nc4nc[nH]c(=O)c4cc3-c3ccccc3)cc2)CCC1.O=c1[nH]c2ncnc(Cl)c2cc1-c1ccccc1.
What is the InChIKey of 7-[4-(1-aminocyclobutyl)phenyl]-6-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[4-(4-methoxy-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate;7-chloro-4-methoxy-6-phenylpyrido[2,3-d]pyrimidine;4-chloro-6-phenyl-8H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The InChIKey is CYSAAAZTBZGSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3.C23H20N4O.C21H32BNO4.C14H10ClN3O.C13H8ClN3O.ClH/c1-28(2,3)36-27(34)33-29(15-8-16-29)21-13-11-20(12-14-21)24-22(19-9-6-5-7-10-19)17-23-25(32-24)30-18-31-26(23)35-4;24-23(11-4-12-23)17-9-7-16(8-10-17)20-18(15-5-2-1-3-6-15)13-19-21(27-20)25-14-26-22(19)28;1-18(2,3)25-17(24)23-21(13-8-14-21)15-9-11-16(12-10-15)22-26-19(4,5)20(6,7)27-22;1-19-14-11-7-10(9-5-3-2-4-6-9)12(15)18-13(11)16-8-17-14;14-11-10-6-9(8-4-2-1-3-5-8)13(18)17-12(10)16-7-15-11;/h5-7,9-14,17-18H,8,15-16H2,1-4H3,(H,33,34);1-3,5-10,13-14H,4,11-12,24H2,(H,25,26,27,28);9-12H,8,13-14H2,1-7H3,(H,23,24);2-8H,1H3;1-7H,(H,15,16,17,18);1H.
What are the key properties of 7-[4-(1-aminocyclobutyl)phenyl]-6-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[4-(4-methoxy-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate;7-chloro-4-methoxy-6-phenylpyrido[2,3-d]pyrimidine;4-chloro-6-phenyl-8H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride?
7-[4-(1-aminocyclobutyl)phenyl]-6-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[4-(4-methoxy-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate;7-chloro-4-methoxy-6-phenylpyrido[2,3-d]pyrimidine;4-chloro-6-phenyl-8H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride has a molecular weight of 1790.17 g/mol, XLogP of 20.57, 14 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1-aminocyclobutyl)phenyl]-6-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[4-(4-methoxy-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate;7-chloro-4-methoxy-6-phenylpyrido[2,3-d]pyrimidine;4-chloro-6-phenyl-8H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride is sourced from PubChem (CID 159453465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).