N-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide

C23H27N7O — CID 118124824

IUPACN-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
SMILESCn1ccc(NC(=O)N2CCCNc3ccc(-c4cccc(N5CCCC5)c4)nc32)n1
InChIInChI=1S/C23H27N7O/c1-28-15-10-21(27-28)26-23(31)30-14-5-11-24-20-9-8-19(25-22(20)30)17-6-4-7-18(16-17)29-12-2-3-13-29/h4,6-10,15-16,24H,2-3,5,11-14H2,1H3,(H,26,27,31)
InChIKeyWFCHNTZQBRPEPV-UHFFFAOYSA-N
MW417.52 g/mol
LogP3.94
Rot. Bonds3

About N-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide

N-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide (PubChem CID 118124824) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
PubChem CID118124824
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC NameN-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
SMILESCn1ccc(NC(=O)N2CCCNc3ccc(-c4cccc(N5CCCC5)c4)nc32)n1
InChIInChI=1S/C23H27N7O/c1-28-15-10-21(27-28)26-23(31)30-14-5-11-24-20-9-8-19(25-22(20)30)17-6-4-7-18(16-17)29-12-2-3-13-29/h4,6-10,15-16,24H,2-3,5,11-14H2,1H3,(H,26,27,31)
InChIKeyWFCHNTZQBRPEPV-UHFFFAOYSA-N
XLogP3.94
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-phenyl-N-pyridin-4-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124738
N-(5-fluoro-3-pyridinyl)-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124828
N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124669
N-(2-bromo-6-methyl-4-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118132992
2-[3-(dimethylamino)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b][1,4]diazocine-10-carboxamide
CID 118124939
N-[3-[4-(aminomethyl)triazol-1-yl]phenyl]-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118125128
N-(3-phenylphenyl)-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118125146
N-[3-[5-(aminomethyl)triazol-1-yl]phenyl]-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118125160
N-(2-tert-butylphenyl)-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124695
7-[3-(2,3-dihydroxypropyl)phenyl]-N-(6-methoxypyrimidin-4-yl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124915
N-[3-[3-(trifluoromethyl)diaziridin-3-yl]phenyl]-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118133066
N-(3-fluoro-4-pyridinyl)-2-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-b][1,4]diazocine-10-carboxamide
CID 118124666

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide (CID 118124824) is N-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide is Cn1ccc(NC(=O)N2CCCNc3ccc(-c4cccc(N5CCCC5)c4)nc32)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
The InChIKey is WFCHNTZQBRPEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-28-15-10-21(27-28)26-23(31)30-14-5-11-24-20-9-8-19(25-22(20)30)17-6-4-7-18(16-17)29-12-2-3-13-29/h4,6-10,15-16,24H,2-3,5,11-14H2,1H3,(H,26,27,31).
What are the key properties of N-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
N-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide is sourced from PubChem (CID 118124824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).