N-[1-(cyclobutylmethyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C19H20N6 — CID 134198221

IUPACN-[1-(cyclobutylmethyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCc1nn(CC2CCC2)c2ccc(Nc3n[nH]c4cccnc34)cc12
InChIInChI=1S/C19H20N6/c1-12-15-10-14(21-19-18-16(22-23-19)6-3-9-20-18)7-8-17(15)25(24-12)11-13-4-2-5-13/h3,6-10,13H,2,4-5,11H2,1H3,(H2,21,22,23)
InChIKeyXYKDESCFCVKMAD-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.16
Rot. Bonds4

About N-[1-(cyclobutylmethyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[1-(cyclobutylmethyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134198221) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[1-(cyclobutylmethyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(cyclobutylmethyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134198221
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC NameN-[1-(cyclobutylmethyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCc1nn(CC2CCC2)c2ccc(Nc3n[nH]c4cccnc34)cc12
InChIInChI=1S/C19H20N6/c1-12-15-10-14(21-19-18-16(22-23-19)6-3-9-20-18)7-8-17(15)25(24-12)11-13-4-2-5-13/h3,6-10,13H,2,4-5,11H2,1H3,(H2,21,22,23)
InChIKeyXYKDESCFCVKMAD-UHFFFAOYSA-N
XLogP4.16
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclobutylmethyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[1-(cyclobutylmethyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134198221) is N-[1-(cyclobutylmethyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[1-(cyclobutylmethyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[1-(cyclobutylmethyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is Cc1nn(CC2CCC2)c2ccc(Nc3n[nH]c4cccnc34)cc12.
What is the InChIKey of N-[1-(cyclobutylmethyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is XYKDESCFCVKMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-12-15-10-14(21-19-18-16(22-23-19)6-3-9-20-18)7-8-17(15)25(24-12)11-13-4-2-5-13/h3,6-10,13H,2,4-5,11H2,1H3,(H2,21,22,23).
What are the key properties of N-[1-(cyclobutylmethyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[1-(cyclobutylmethyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 332.41 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclobutylmethyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134198221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).