N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide

C17H15N5O — CID 135870700

IUPACN-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1
InChIInChI=1S/C17H15N5O/c1-10(23)22(2)16-8-7-13-14(19-16)9-15(18-13)17-11-5-3-4-6-12(11)20-21-17/h3-9,18H,1-2H3,(H,20,21)
InChIKeyJYAYPGGNMKXMLN-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.09
Rot. Bonds2

About N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide

N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide (PubChem CID 135870700) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide
PubChem CID135870700
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1
InChIInChI=1S/C17H15N5O/c1-10(23)22(2)16-8-7-13-14(19-16)9-15(18-13)17-11-5-3-4-6-12(11)20-21-17/h3-9,18H,1-2H3,(H,20,21)
InChIKeyJYAYPGGNMKXMLN-UHFFFAOYSA-N
XLogP3.09
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide?
The IUPAC name of N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide (CID 135870700) is N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide.
What is the SMILES notation for N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide?
The canonical SMILES for N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide is CC(=O)N(C)c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1.
What is the InChIKey of N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide?
The InChIKey is JYAYPGGNMKXMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-10(23)22(2)16-8-7-13-14(19-16)9-15(18-13)17-11-5-3-4-6-12(11)20-21-17/h3-9,18H,1-2H3,(H,20,21).
What are the key properties of N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide?
N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide has a molecular weight of 305.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide is sourced from PubChem (CID 135870700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).