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

C17H18N8O — CID 118124972

IUPAC7-(2-methylpyrazol-3-yl)-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
SMILESCn1nccc1-c1ccc2c(n1)N(C(=O)Nc1cnccn1)CCCN2
InChIInChI=1S/C17H18N8O/c1-24-14(5-7-21-24)12-3-4-13-16(22-12)25(10-2-6-19-13)17(26)23-15-11-18-8-9-20-15/h3-5,7-9,11,19H,2,6,10H2,1H3,(H,20,23,26)
InChIKeyLHQALMDKJKVTFV-UHFFFAOYSA-N
MW350.39 g/mol
LogP2.13
Rot. Bonds2

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

7-(2-methylpyrazol-3-yl)-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide (PubChem CID 118124972) has the molecular formula C17H18N8O and a molecular weight of 350.39 g/mol. Its IUPAC name is 7-(2-methylpyrazol-3-yl)-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide.

Molecular Properties

Compound Name7-(2-methylpyrazol-3-yl)-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
PubChem CID118124972
Molecular FormulaC17H18N8O
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name7-(2-methylpyrazol-3-yl)-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
SMILESCn1nccc1-c1ccc2c(n1)N(C(=O)Nc1cnccn1)CCCN2
InChIInChI=1S/C17H18N8O/c1-24-14(5-7-21-24)12-3-4-13-16(22-12)25(10-2-6-19-13)17(26)23-15-11-18-8-9-20-15/h3-5,7-9,11,19H,2,6,10H2,1H3,(H,20,23,26)
InChIKeyLHQALMDKJKVTFV-UHFFFAOYSA-N
XLogP2.13
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpyrazol-3-yl)-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
The IUPAC name of 7-(2-methylpyrazol-3-yl)-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide (CID 118124972) is 7-(2-methylpyrazol-3-yl)-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide.
What is the SMILES notation for 7-(2-methylpyrazol-3-yl)-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
The canonical SMILES for 7-(2-methylpyrazol-3-yl)-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide is Cn1nccc1-c1ccc2c(n1)N(C(=O)Nc1cnccn1)CCCN2.
What is the InChIKey of 7-(2-methylpyrazol-3-yl)-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
The InChIKey is LHQALMDKJKVTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O/c1-24-14(5-7-21-24)12-3-4-13-16(22-12)25(10-2-6-19-13)17(26)23-15-11-18-8-9-20-15/h3-5,7-9,11,19H,2,6,10H2,1H3,(H,20,23,26).
What are the key properties of 7-(2-methylpyrazol-3-yl)-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
7-(2-methylpyrazol-3-yl)-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide has a molecular weight of 350.39 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpyrazol-3-yl)-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide is sourced from PubChem (CID 118124972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).