5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-N-propan-2-yl-1H-indazole-3-carboxamide

C20H25N7O — CID 162660129

IUPAC5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-N-propan-2-yl-1H-indazole-3-carboxamide
SMILESCC(C)NC(=O)c1n[nH]c2ccc(-c3cncc(NC4CCNCC4)n3)cc12
InChIInChI=1S/C20H25N7O/c1-12(2)23-20(28)19-15-9-13(3-4-16(15)26-27-19)17-10-22-11-18(25-17)24-14-5-7-21-8-6-14/h3-4,9-12,14,21H,5-8H2,1-2H3,(H,23,28)(H,24,25)(H,26,27)
InChIKeyKXAQGXXEXJQJID-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.32
Rot. Bonds5

About 5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-N-propan-2-yl-1H-indazole-3-carboxamide

5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-N-propan-2-yl-1H-indazole-3-carboxamide (PubChem CID 162660129) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-N-propan-2-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-N-propan-2-yl-1H-indazole-3-carboxamide
PubChem CID162660129
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-N-propan-2-yl-1H-indazole-3-carboxamide
SMILESCC(C)NC(=O)c1n[nH]c2ccc(-c3cncc(NC4CCNCC4)n3)cc12
InChIInChI=1S/C20H25N7O/c1-12(2)23-20(28)19-15-9-13(3-4-16(15)26-27-19)17-10-22-11-18(25-17)24-14-5-7-21-8-6-14/h3-4,9-12,14,21H,5-8H2,1-2H3,(H,23,28)(H,24,25)(H,26,27)
InChIKeyKXAQGXXEXJQJID-UHFFFAOYSA-N
XLogP2.32
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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1H-indol-2-yl-[4-[[3-(isopropylamino)-2-pyridyl]-methyl-amino]-1-piperidyl]methanone
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N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
CID 155925936

Frequently Asked Questions

What is the IUPAC name of 5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-N-propan-2-yl-1H-indazole-3-carboxamide?
The IUPAC name of 5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-N-propan-2-yl-1H-indazole-3-carboxamide (CID 162660129) is 5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-N-propan-2-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-N-propan-2-yl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-N-propan-2-yl-1H-indazole-3-carboxamide is CC(C)NC(=O)c1n[nH]c2ccc(-c3cncc(NC4CCNCC4)n3)cc12.
What is the InChIKey of 5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-N-propan-2-yl-1H-indazole-3-carboxamide?
The InChIKey is KXAQGXXEXJQJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-12(2)23-20(28)19-15-9-13(3-4-16(15)26-27-19)17-10-22-11-18(25-17)24-14-5-7-21-8-6-14/h3-4,9-12,14,21H,5-8H2,1-2H3,(H,23,28)(H,24,25)(H,26,27).
What are the key properties of 5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-N-propan-2-yl-1H-indazole-3-carboxamide?
5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-N-propan-2-yl-1H-indazole-3-carboxamide has a molecular weight of 379.47 g/mol, XLogP of 2.32, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-N-propan-2-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 162660129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).