N-(4-chloro-3-cyclobutyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine

C18H17ClN6O — CID 134192015

IUPACN-(4-chloro-3-cyclobutyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCn1nc(OC2CCC2)c2c(Cl)cc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C18H17ClN6O/c1-25-14-9-10(21-17-16-13(22-23-17)6-3-7-20-16)8-12(19)15(14)18(24-25)26-11-4-2-5-11/h3,6-9,11H,2,4-5H2,1H3,(H2,21,22,23)
InChIKeySGKNLIFSJUSTTM-UHFFFAOYSA-N
MW368.83 g/mol
LogP4.17
Rot. Bonds4

About N-(4-chloro-3-cyclobutyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine

N-(4-chloro-3-cyclobutyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134192015) has the molecular formula C18H17ClN6O and a molecular weight of 368.83 g/mol. Its IUPAC name is N-(4-chloro-3-cyclobutyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(4-chloro-3-cyclobutyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134192015
Molecular FormulaC18H17ClN6O
Molecular Weight368.83 g/mol
Exact Mass368.12
IUPAC NameN-(4-chloro-3-cyclobutyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCn1nc(OC2CCC2)c2c(Cl)cc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C18H17ClN6O/c1-25-14-9-10(21-17-16-13(22-23-17)6-3-7-20-16)8-12(19)15(14)18(24-25)26-11-4-2-5-11/h3,6-9,11H,2,4-5H2,1H3,(H2,21,22,23)
InChIKeySGKNLIFSJUSTTM-UHFFFAOYSA-N
XLogP4.17
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-cyclobutyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-(4-chloro-3-cyclobutyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134192015) is N-(4-chloro-3-cyclobutyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-(4-chloro-3-cyclobutyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-(4-chloro-3-cyclobutyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine is Cn1nc(OC2CCC2)c2c(Cl)cc(Nc3n[nH]c4cccnc34)cc21.
What is the InChIKey of N-(4-chloro-3-cyclobutyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is SGKNLIFSJUSTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O/c1-25-14-9-10(21-17-16-13(22-23-17)6-3-7-20-16)8-12(19)15(14)18(24-25)26-11-4-2-5-11/h3,6-9,11H,2,4-5H2,1H3,(H2,21,22,23).
What are the key properties of N-(4-chloro-3-cyclobutyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-(4-chloro-3-cyclobutyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 368.83 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-cyclobutyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134192015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).