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

C18H17N5O — CID 136961412

IUPACN-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1
InChIInChI=1S/C18H17N5O/c1-3-17(24)23(2)16-9-8-13-14(20-16)10-15(19-13)18-11-6-4-5-7-12(11)21-22-18/h4-10,19H,3H2,1-2H3,(H,21,22)
InChIKeyGPJSGEHSMDUNRS-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.48
Rot. Bonds3

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

N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylpropanamide (PubChem CID 136961412) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylpropanamide
PubChem CID136961412
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1
InChIInChI=1S/C18H17N5O/c1-3-17(24)23(2)16-9-8-13-14(20-16)10-15(19-13)18-11-6-4-5-7-12(11)21-22-18/h4-10,19H,3H2,1-2H3,(H,21,22)
InChIKeyGPJSGEHSMDUNRS-UHFFFAOYSA-N
XLogP3.48
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.48
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-methylpropanamide?
The IUPAC name of N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylpropanamide (CID 136961412) is N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylpropanamide.
What is the SMILES notation for N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylpropanamide?
The canonical SMILES for N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylpropanamide is CCC(=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-methylpropanamide?
The InChIKey is GPJSGEHSMDUNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-3-17(24)23(2)16-9-8-13-14(20-16)10-15(19-13)18-11-6-4-5-7-12(11)21-22-18/h4-10,19H,3H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylpropanamide?
N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylpropanamide has a molecular weight of 319.37 g/mol, XLogP of 3.48, 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-methylpropanamide is sourced from PubChem (CID 136961412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).