2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide

C19H22N8O — CID 46901543

IUPAC2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
SMILESCn1ccc(Nc2cc(-c3cc(C(N)=O)cc(N4CCNCC4)n3)ccn2)n1
InChIInChI=1S/C19H22N8O/c1-26-7-3-16(25-26)24-17-11-13(2-4-22-17)15-10-14(19(20)28)12-18(23-15)27-8-5-21-6-9-27/h2-4,7,10-12,21H,5-6,8-9H2,1H3,(H2,20,28)(H,22,24,25)
InChIKeyHCMOZLPTNMKKAS-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.13
Rot. Bonds5

About 2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide

2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide (PubChem CID 46901543) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
PubChem CID46901543
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
SMILESCn1ccc(Nc2cc(-c3cc(C(N)=O)cc(N4CCNCC4)n3)ccn2)n1
InChIInChI=1S/C19H22N8O/c1-26-7-3-16(25-26)24-17-11-13(2-4-22-17)15-10-14(19(20)28)12-18(23-15)27-8-5-21-6-9-27/h2-4,7,10-12,21H,5-6,8-9H2,1H3,(H2,20,28)(H,22,24,25)
InChIKeyHCMOZLPTNMKKAS-UHFFFAOYSA-N
XLogP1.13
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide?
The IUPAC name of 2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide (CID 46901543) is 2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide?
The canonical SMILES for 2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide is Cn1ccc(Nc2cc(-c3cc(C(N)=O)cc(N4CCNCC4)n3)ccn2)n1.
What is the InChIKey of 2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide?
The InChIKey is HCMOZLPTNMKKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-26-7-3-16(25-26)24-17-11-13(2-4-22-17)15-10-14(19(20)28)12-18(23-15)27-8-5-21-6-9-27/h2-4,7,10-12,21H,5-6,8-9H2,1H3,(H2,20,28)(H,22,24,25).
What are the key properties of 2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide?
2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 46901543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).