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

C22H17N5O — CID 135870688

IUPACN-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1
InChIInChI=1S/C22H17N5O/c1-27(22(28)14-7-3-2-4-8-14)20-12-11-17-18(24-20)13-19(23-17)21-15-9-5-6-10-16(15)25-26-21/h2-13,23H,1H3,(H,25,26)
InChIKeyCRPVIDJZMQAHEI-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.38
Rot. Bonds3

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

N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide (PubChem CID 135870688) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide
PubChem CID135870688
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC NameN-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1
InChIInChI=1S/C22H17N5O/c1-27(22(28)14-7-3-2-4-8-14)20-12-11-17-18(24-20)13-19(23-17)21-15-9-5-6-10-16(15)25-26-21/h2-13,23H,1H3,(H,25,26)
InChIKeyCRPVIDJZMQAHEI-UHFFFAOYSA-N
XLogP4.38
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.38
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-methylbenzamide?
The IUPAC name of N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide (CID 135870688) is N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide?
The canonical SMILES for N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide is CN(C(=O)c1ccccc1)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-methylbenzamide?
The InChIKey is CRPVIDJZMQAHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-27(22(28)14-7-3-2-4-8-14)20-12-11-17-18(24-20)13-19(23-17)21-15-9-5-6-10-16(15)25-26-21/h2-13,23H,1H3,(H,25,26).
What are the key properties of N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide?
N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide has a molecular weight of 367.41 g/mol, XLogP of 4.38, 3 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-methylbenzamide is sourced from PubChem (CID 135870688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).