N-(1-butan-2-yl-3-chloroindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine

C17H17ClN6 — CID 134192198

IUPACN-(1-butan-2-yl-3-chloroindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCCC(C)n1nc(Cl)c2cc(Nc3n[nH]c4cccnc34)ccc21
InChIInChI=1S/C17H17ClN6/c1-3-10(2)24-14-7-6-11(9-12(14)16(18)23-24)20-17-15-13(21-22-17)5-4-8-19-15/h4-10H,3H2,1-2H3,(H2,20,21,22)
InChIKeyVBVVMICMCNWREB-UHFFFAOYSA-N
MW340.82 g/mol
LogP4.68
Rot. Bonds4

About N-(1-butan-2-yl-3-chloroindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine

N-(1-butan-2-yl-3-chloroindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134192198) has the molecular formula C17H17ClN6 and a molecular weight of 340.82 g/mol. Its IUPAC name is N-(1-butan-2-yl-3-chloroindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(1-butan-2-yl-3-chloroindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134192198
Molecular FormulaC17H17ClN6
Molecular Weight340.82 g/mol
Exact Mass340.12
IUPAC NameN-(1-butan-2-yl-3-chloroindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCCC(C)n1nc(Cl)c2cc(Nc3n[nH]c4cccnc34)ccc21
InChIInChI=1S/C17H17ClN6/c1-3-10(2)24-14-7-6-11(9-12(14)16(18)23-24)20-17-15-13(21-22-17)5-4-8-19-15/h4-10H,3H2,1-2H3,(H2,20,21,22)
InChIKeyVBVVMICMCNWREB-UHFFFAOYSA-N
XLogP4.68
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.82
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-butan-2-yl-3-chloroindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-(1-butan-2-yl-3-chloroindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134192198) is N-(1-butan-2-yl-3-chloroindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-(1-butan-2-yl-3-chloroindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-(1-butan-2-yl-3-chloroindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine is CCC(C)n1nc(Cl)c2cc(Nc3n[nH]c4cccnc34)ccc21.
What is the InChIKey of N-(1-butan-2-yl-3-chloroindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is VBVVMICMCNWREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6/c1-3-10(2)24-14-7-6-11(9-12(14)16(18)23-24)20-17-15-13(21-22-17)5-4-8-19-15/h4-10H,3H2,1-2H3,(H2,20,21,22).
What are the key properties of N-(1-butan-2-yl-3-chloroindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-(1-butan-2-yl-3-chloroindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 340.82 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butan-2-yl-3-chloroindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134192198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).