4-aminopyridine-3-carboxylic acid;4-chloropyrido[4,3-d]pyrimidine;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)ethanone;formamide;3H-pyrido[4,3-d]pyrimidin-4-one

C66H55ClF2N12O10 — CID 158242257

IUPAC4-aminopyridine-3-carboxylic acid;4-chloropyrido[4,3-d]pyrimidine;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)ethanone;formamide;3H-pyrido[4,3-d]pyrimidin-4-one
SMILESClc1ncnc2ccncc12.NC=O.Nc1ccncc1C(=O)O.O=C(Cc1ccc(F)cc1)C1(C(=O)Cc2ccc(Oc3ncnc4ccncc34)cc2)CC1.O=C(Cc1ccc(O)cc1)C1(C(=O)Cc2ccc(F)cc2)CC1.O=c1[nH]cnc2ccncc12
InChIInChI=1S/C26H20FN3O3.C19H17FO3.C7H4ClN3.C7H5N3O.C6H6N2O2.CH3NO/c27-19-5-1-17(2-6-19)13-23(31)26(10-11-26)24(32)14-18-3-7-20(8-4-18)33-25-21-15-28-12-9-22(21)29-16-30-25;20-15-5-1-13(2-6-15)11-17(22)19(9-10-19)18(23)12-14-3-7-16(21)8-4-14;8-7-5-3-9-2-1-6(5)10-4-11-7;11-7-5-3-8-2-1-6(5)9-4-10-7;7-5-1-2-8-3-4(5)6(9)10;2-1-3/h1-9,12,15-16H,10-11,13-14H2;1-8,21H,9-12H2;1-4H;1-4H,(H,9,10,11);1-3H,(H2,7,8)(H,9,10);1H,(H2,2,3)
InChIKeyGFRLUQDFLDDELL-UHFFFAOYSA-N
MW1249.69 g/mol
LogP9.35
Rot. Bonds15

About 4-aminopyridine-3-carboxylic acid;4-chloropyrido[4,3-d]pyrimidine;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)ethanone;formamide;3H-pyrido[4,3-d]pyrimidin-4-one

4-aminopyridine-3-carboxylic acid;4-chloropyrido[4,3-d]pyrimidine;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)ethanone;formamide;3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 158242257) has the molecular formula C66H55ClF2N12O10 and a molecular weight of 1249.69 g/mol. Its IUPAC name is 4-aminopyridine-3-carboxylic acid;4-chloropyrido[4,3-d]pyrimidine;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)ethanone;formamide;3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name4-aminopyridine-3-carboxylic acid;4-chloropyrido[4,3-d]pyrimidine;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)ethanone;formamide;3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID158242257
Molecular FormulaC66H55ClF2N12O10
Molecular Weight1249.69 g/mol
Exact Mass1248.38
IUPAC Name4-aminopyridine-3-carboxylic acid;4-chloropyrido[4,3-d]pyrimidine;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)ethanone;formamide;3H-pyrido[4,3-d]pyrimidin-4-one
SMILESClc1ncnc2ccncc12.NC=O.Nc1ccncc1C(=O)O.O=C(Cc1ccc(F)cc1)C1(C(=O)Cc2ccc(Oc3ncnc4ccncc34)cc2)CC1.O=C(Cc1ccc(O)cc1)C1(C(=O)Cc2ccc(F)cc2)CC1.O=c1[nH]cnc2ccncc12
InChIInChI=1S/C26H20FN3O3.C19H17FO3.C7H4ClN3.C7H5N3O.C6H6N2O2.CH3NO/c27-19-5-1-17(2-6-19)13-23(31)26(10-11-26)24(32)14-18-3-7-20(8-4-18)33-25-21-15-28-12-9-22(21)29-16-30-25;20-15-5-1-13(2-6-15)11-17(22)19(9-10-19)18(23)12-14-3-7-16(21)8-4-14;8-7-5-3-9-2-1-6(5)10-4-11-7;11-7-5-3-8-2-1-6(5)9-4-10-7;7-5-1-2-8-3-4(5)6(9)10;2-1-3/h1-9,12,15-16H,10-11,13-14H2;1-8,21H,9-12H2;1-4H;1-4H,(H,9,10,11);1-3H,(H2,7,8)(H,9,10);1H,(H2,2,3)
InChIKeyGFRLUQDFLDDELL-UHFFFAOYSA-N
XLogP9.35
TPSA353.02 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001249.69
LogP ≤ 59.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-aminopyridine-3-carboxylic acid;4-chloropyrido[4,3-d]pyrimidine;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)ethanone;formamide;3H-pyrido[4,3-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-aminopyridine-3-carboxylic acid;4-chloropyrido[4,3-d]pyrimidine;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)ethanone;formamide;3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 4-aminopyridine-3-carboxylic acid;4-chloropyrido[4,3-d]pyrimidine;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)ethanone;formamide;3H-pyrido[4,3-d]pyrimidin-4-one (CID 158242257) is 4-aminopyridine-3-carboxylic acid;4-chloropyrido[4,3-d]pyrimidine;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)ethanone;formamide;3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 4-aminopyridine-3-carboxylic acid;4-chloropyrido[4,3-d]pyrimidine;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)ethanone;formamide;3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 4-aminopyridine-3-carboxylic acid;4-chloropyrido[4,3-d]pyrimidine;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)ethanone;formamide;3H-pyrido[4,3-d]pyrimidin-4-one is Clc1ncnc2ccncc12.NC=O.Nc1ccncc1C(=O)O.O=C(Cc1ccc(F)cc1)C1(C(=O)Cc2ccc(Oc3ncnc4ccncc34)cc2)CC1.O=C(Cc1ccc(O)cc1)C1(C(=O)Cc2ccc(F)cc2)CC1.O=c1[nH]cnc2ccncc12.
What is the InChIKey of 4-aminopyridine-3-carboxylic acid;4-chloropyrido[4,3-d]pyrimidine;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)ethanone;formamide;3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is GFRLUQDFLDDELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O3.C19H17FO3.C7H4ClN3.C7H5N3O.C6H6N2O2.CH3NO/c27-19-5-1-17(2-6-19)13-23(31)26(10-11-26)24(32)14-18-3-7-20(8-4-18)33-25-21-15-28-12-9-22(21)29-16-30-25;20-15-5-1-13(2-6-15)11-17(22)19(9-10-19)18(23)12-14-3-7-16(21)8-4-14;8-7-5-3-9-2-1-6(5)10-4-11-7;11-7-5-3-8-2-1-6(5)9-4-10-7;7-5-1-2-8-3-4(5)6(9)10;2-1-3/h1-9,12,15-16H,10-11,13-14H2;1-8,21H,9-12H2;1-4H;1-4H,(H,9,10,11);1-3H,(H2,7,8)(H,9,10);1H,(H2,2,3).
What are the key properties of 4-aminopyridine-3-carboxylic acid;4-chloropyrido[4,3-d]pyrimidine;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)ethanone;formamide;3H-pyrido[4,3-d]pyrimidin-4-one?
4-aminopyridine-3-carboxylic acid;4-chloropyrido[4,3-d]pyrimidine;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)ethanone;formamide;3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 1249.69 g/mol, XLogP of 9.35, 15 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopyridine-3-carboxylic acid;4-chloropyrido[4,3-d]pyrimidine;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)ethanone;formamide;3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 158242257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).