2-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

C16H17N5 — CID 80572355

IUPAC2-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(CC3CNc4ccccc43)nc2n1
InChIInChI=1S/C16H17N5/c1-17-14-7-6-13-16(20-14)21-15(19-13)8-10-9-18-12-5-3-2-4-11(10)12/h2-7,10,18H,8-9H2,1H3,(H2,17,19,20,21)
InChIKeyYJORZXYBVUCXLY-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.75
Rot. Bonds3

About 2-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

2-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 80572355) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID80572355
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name2-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(CC3CNc4ccccc43)nc2n1
InChIInChI=1S/C16H17N5/c1-17-14-7-6-13-16(20-14)21-15(19-13)8-10-9-18-12-5-3-2-4-11(10)12/h2-7,10,18H,8-9H2,1H3,(H2,17,19,20,21)
InChIKeyYJORZXYBVUCXLY-UHFFFAOYSA-N
XLogP2.75
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 80572355) is 2-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is CNc1ccc2[nH]c(CC3CNc4ccccc43)nc2n1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is YJORZXYBVUCXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-17-14-7-6-13-16(20-14)21-15(19-13)8-10-9-18-12-5-3-2-4-11(10)12/h2-7,10,18H,8-9H2,1H3,(H2,17,19,20,21).
What are the key properties of 2-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 279.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 80572355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).