4-[2-(4-fluoro-1-methylbenzimidazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C33H37FN8O — CID 176704322

IUPAC4-[2-(4-fluoro-1-methylbenzimidazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCc1ccccc1C1Cc2nc(OC)nc(N3CCCn4nc(-c5nc6c(F)cccc6n5C)cc4C3)c2CN1C
InChIInChI=1S/C33H37FN8O/c1-5-10-21-11-6-7-12-23(21)29-18-26-24(20-39(29)2)31(37-33(35-26)43-4)41-15-9-16-42-22(19-41)17-27(38-42)32-36-30-25(34)13-8-14-28(30)40(32)3/h6-8,11-14,17,29H,5,9-10,15-16,18-20H2,1-4H3
InChIKeyPIFPJRKRHLELKO-UHFFFAOYSA-N
MW580.71 g/mol
LogP5.47
Rot. Bonds6

About 4-[2-(4-fluoro-1-methylbenzimidazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-[2-(4-fluoro-1-methylbenzimidazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 176704322) has the molecular formula C33H37FN8O and a molecular weight of 580.71 g/mol. Its IUPAC name is 4-[2-(4-fluoro-1-methylbenzimidazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-[2-(4-fluoro-1-methylbenzimidazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID176704322
Molecular FormulaC33H37FN8O
Molecular Weight580.71 g/mol
Exact Mass580.31
IUPAC Name4-[2-(4-fluoro-1-methylbenzimidazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCc1ccccc1C1Cc2nc(OC)nc(N3CCCn4nc(-c5nc6c(F)cccc6n5C)cc4C3)c2CN1C
InChIInChI=1S/C33H37FN8O/c1-5-10-21-11-6-7-12-23(21)29-18-26-24(20-39(29)2)31(37-33(35-26)43-4)41-15-9-16-42-22(19-41)17-27(38-42)32-36-30-25(34)13-8-14-28(30)40(32)3/h6-8,11-14,17,29H,5,9-10,15-16,18-20H2,1-4H3
InChIKeyPIFPJRKRHLELKO-UHFFFAOYSA-N
XLogP5.47
TPSA77.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.71
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[2-(4-fluoro-1-methylbenzimidazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

2-[1-[6-[5-[(2,5-Difluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole
CID 71533682
2-[1-[6-[5-[(4-Fluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole
CID 71549408
2-Methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine
CID 118708351
9-Methyl-6-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,7]naphthyridine
CID 118708358
2-Methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline
CID 118708360
2-[1-[6-[5-(2-Fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole
CID 71549265
2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-3-methyl-3,4-dihydro-1H-isoquinoline
CID 91799482
1-{2-[2-(3,5-Dimethyl-1H-pyrazol-1-YL)ethyl]-[1,2,4]triazolo[1,5-C]quinazolin-5-YL}-4-(2-fluorophenyl)piperazine
CID 16010846
1-{2-[2-(3,5-Dimethyl-1H-pyrazol-1-YL)ethyl]-[1,2,4]triazolo[1,5-C]quinazolin-5-YL}-4-(2,3-dimethylphenyl)piperazine
CID 16010848
1-{2-[2-(3,5-Dimethyl-1H-pyrazol-1-YL)ethyl]-[1,2,4]triazolo[1,5-C]quinazolin-5-YL}-4-(4-fluorophenyl)piperazine
CID 16010842
US11897891, Example 11
CID 156438189
US11897891, Example 18
CID 156438265

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoro-1-methylbenzimidazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-[2-(4-fluoro-1-methylbenzimidazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 176704322) is 4-[2-(4-fluoro-1-methylbenzimidazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-[2-(4-fluoro-1-methylbenzimidazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-[2-(4-fluoro-1-methylbenzimidazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCCc1ccccc1C1Cc2nc(OC)nc(N3CCCn4nc(-c5nc6c(F)cccc6n5C)cc4C3)c2CN1C.
What is the InChIKey of 4-[2-(4-fluoro-1-methylbenzimidazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is PIFPJRKRHLELKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37FN8O/c1-5-10-21-11-6-7-12-23(21)29-18-26-24(20-39(29)2)31(37-33(35-26)43-4)41-15-9-16-42-22(19-41)17-27(38-42)32-36-30-25(34)13-8-14-28(30)40(32)3/h6-8,11-14,17,29H,5,9-10,15-16,18-20H2,1-4H3.
What are the key properties of 4-[2-(4-fluoro-1-methylbenzimidazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-[2-(4-fluoro-1-methylbenzimidazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 580.71 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluoro-1-methylbenzimidazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 176704322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).