3-(3-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine

C17H16ClN5 — CID 137254461

IUPAC3-(3-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine
SMILESCC(C)n1nc(-c2[nH]c3ccccc3c2Cl)c2c(N)nccc21
InChIInChI=1S/C17H16ClN5/c1-9(2)23-12-7-8-20-17(19)13(12)15(22-23)16-14(18)10-5-3-4-6-11(10)21-16/h3-9,21H,1-2H3,(H2,19,20)
InChIKeyVBNBBNHQXPYEKS-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.40
Rot. Bonds2

About 3-(3-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine

3-(3-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine (PubChem CID 137254461) has the molecular formula C17H16ClN5 and a molecular weight of 325.80 g/mol. Its IUPAC name is 3-(3-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name3-(3-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine
PubChem CID137254461
Molecular FormulaC17H16ClN5
Molecular Weight325.80 g/mol
Exact Mass325.11
IUPAC Name3-(3-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine
SMILESCC(C)n1nc(-c2[nH]c3ccccc3c2Cl)c2c(N)nccc21
InChIInChI=1S/C17H16ClN5/c1-9(2)23-12-7-8-20-17(19)13(12)15(22-23)16-14(18)10-5-3-4-6-11(10)21-16/h3-9,21H,1-2H3,(H2,19,20)
InChIKeyVBNBBNHQXPYEKS-UHFFFAOYSA-N
XLogP4.40
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 3-(3-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine (CID 137254461) is 3-(3-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 3-(3-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 3-(3-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine is CC(C)n1nc(-c2[nH]c3ccccc3c2Cl)c2c(N)nccc21.
What is the InChIKey of 3-(3-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is VBNBBNHQXPYEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5/c1-9(2)23-12-7-8-20-17(19)13(12)15(22-23)16-14(18)10-5-3-4-6-11(10)21-16/h3-9,21H,1-2H3,(H2,19,20).
What are the key properties of 3-(3-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
3-(3-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 325.80 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 137254461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).