2-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)-hydroxymethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile

C20H17N5O — CID 86282342

IUPAC2-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)-hydroxymethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCc1cc(C2CC2)c(C(O)c2nc3ncc(C#N)cc3[nH]2)c2cc[nH]c12
InChIInChI=1S/C20H17N5O/c1-10-6-14(12-2-3-12)16(13-4-5-22-17(10)13)18(26)20-24-15-7-11(8-21)9-23-19(15)25-20/h4-7,9,12,18,22,26H,2-3H2,1H3,(H,23,24,25)
InChIKeyPMUUEKUKEOLSBU-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.58
Rot. Bonds3

About 2-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)-hydroxymethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile

2-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)-hydroxymethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile (PubChem CID 86282342) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)-hydroxymethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)-hydroxymethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
PubChem CID86282342
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name2-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)-hydroxymethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCc1cc(C2CC2)c(C(O)c2nc3ncc(C#N)cc3[nH]2)c2cc[nH]c12
InChIInChI=1S/C20H17N5O/c1-10-6-14(12-2-3-12)16(13-4-5-22-17(10)13)18(26)20-24-15-7-11(8-21)9-23-19(15)25-20/h4-7,9,12,18,22,26H,2-3H2,1H3,(H,23,24,25)
InChIKeyPMUUEKUKEOLSBU-UHFFFAOYSA-N
XLogP3.58
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)-hydroxymethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The IUPAC name of 2-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)-hydroxymethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile (CID 86282342) is 2-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)-hydroxymethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile.
What is the SMILES notation for 2-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)-hydroxymethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 2-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)-hydroxymethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile is Cc1cc(C2CC2)c(C(O)c2nc3ncc(C#N)cc3[nH]2)c2cc[nH]c12.
What is the InChIKey of 2-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)-hydroxymethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The InChIKey is PMUUEKUKEOLSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-10-6-14(12-2-3-12)16(13-4-5-22-17(10)13)18(26)20-24-15-7-11(8-21)9-23-19(15)25-20/h4-7,9,12,18,22,26H,2-3H2,1H3,(H,23,24,25).
What are the key properties of 2-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)-hydroxymethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
2-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)-hydroxymethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 343.39 g/mol, XLogP of 3.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)-hydroxymethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 86282342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).