2-[1-(cyclopropylmethyl)-5,6-dimethylindol-2-yl]-6-[1-(3-methylpiperidin-1-yl)ethenyl]imidazo[4,5-b]pyridin-3-amine

C28H34N6 — CID 155131883

IUPAC2-[1-(cyclopropylmethyl)-5,6-dimethylindol-2-yl]-6-[1-(3-methylpiperidin-1-yl)ethenyl]imidazo[4,5-b]pyridin-3-amine
SMILESC=C(c1cnc2c(c1)nc(-c1cc3cc(C)c(C)cc3n1CC1CC1)n2N)N1CCCC(C)C1
InChIInChI=1S/C28H34N6/c1-17-6-5-9-32(15-17)20(4)23-12-24-27(30-14-23)34(29)28(31-24)26-13-22-10-18(2)19(3)11-25(22)33(26)16-21-7-8-21/h10-14,17,21H,4-9,15-16,29H2,1-3H3
InChIKeyYGDUJPOHOKVFDY-UHFFFAOYSA-N
MW454.62 g/mol
LogP5.50
Rot. Bonds5

About 2-[1-(cyclopropylmethyl)-5,6-dimethylindol-2-yl]-6-[1-(3-methylpiperidin-1-yl)ethenyl]imidazo[4,5-b]pyridin-3-amine

2-[1-(cyclopropylmethyl)-5,6-dimethylindol-2-yl]-6-[1-(3-methylpiperidin-1-yl)ethenyl]imidazo[4,5-b]pyridin-3-amine (PubChem CID 155131883) has the molecular formula C28H34N6 and a molecular weight of 454.62 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-5,6-dimethylindol-2-yl]-6-[1-(3-methylpiperidin-1-yl)ethenyl]imidazo[4,5-b]pyridin-3-amine.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-5,6-dimethylindol-2-yl]-6-[1-(3-methylpiperidin-1-yl)ethenyl]imidazo[4,5-b]pyridin-3-amine
PubChem CID155131883
Molecular FormulaC28H34N6
Molecular Weight454.62 g/mol
Exact Mass454.28
IUPAC Name2-[1-(cyclopropylmethyl)-5,6-dimethylindol-2-yl]-6-[1-(3-methylpiperidin-1-yl)ethenyl]imidazo[4,5-b]pyridin-3-amine
SMILESC=C(c1cnc2c(c1)nc(-c1cc3cc(C)c(C)cc3n1CC1CC1)n2N)N1CCCC(C)C1
InChIInChI=1S/C28H34N6/c1-17-6-5-9-32(15-17)20(4)23-12-24-27(30-14-23)34(29)28(31-24)26-13-22-10-18(2)19(3)11-25(22)33(26)16-21-7-8-21/h10-14,17,21H,4-9,15-16,29H2,1-3H3
InChIKeyYGDUJPOHOKVFDY-UHFFFAOYSA-N
XLogP5.50
TPSA64.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5,6-difluoroindol-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 129223753
[(3R)-3-aminopiperidin-1-yl]-[2-[7-(cyclopropylmethyl)-2-methylpyrrolo[2,3-d]pyrimidin-6-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 129230157
[2-[1-(cyclopropylmethyl)-6-(oxan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 134482149
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]methanone
CID 72725333
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1,6-dimethylbenzimidazol-5-yl]methanone
CID 129231277
[(2R,3R,4R)-3-amino-2,4-dimethylpyrrolidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 145330101
[(3R)-3-aminopiperidin-1-yl]-[1-cyclopropyl-2-[1-(cyclopropylmethyl)-6-[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-5-yl]methanone
CID 167416851
(3S)-3-methyl-1-(1-phenylethenyl)piperidine
CID 143536748
[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 122703116
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-fluoroindol-2-yl]-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone
CID 138496355
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-2-yl]-1,6-dimethylbenzimidazol-5-yl]methanone;hydrochloride
CID 140791071
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-hydroxy-1-methylbenzimidazol-5-yl]methanone
CID 134481914

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-5,6-dimethylindol-2-yl]-6-[1-(3-methylpiperidin-1-yl)ethenyl]imidazo[4,5-b]pyridin-3-amine?
The IUPAC name of 2-[1-(cyclopropylmethyl)-5,6-dimethylindol-2-yl]-6-[1-(3-methylpiperidin-1-yl)ethenyl]imidazo[4,5-b]pyridin-3-amine (CID 155131883) is 2-[1-(cyclopropylmethyl)-5,6-dimethylindol-2-yl]-6-[1-(3-methylpiperidin-1-yl)ethenyl]imidazo[4,5-b]pyridin-3-amine.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-5,6-dimethylindol-2-yl]-6-[1-(3-methylpiperidin-1-yl)ethenyl]imidazo[4,5-b]pyridin-3-amine?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-5,6-dimethylindol-2-yl]-6-[1-(3-methylpiperidin-1-yl)ethenyl]imidazo[4,5-b]pyridin-3-amine is C=C(c1cnc2c(c1)nc(-c1cc3cc(C)c(C)cc3n1CC1CC1)n2N)N1CCCC(C)C1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-5,6-dimethylindol-2-yl]-6-[1-(3-methylpiperidin-1-yl)ethenyl]imidazo[4,5-b]pyridin-3-amine?
The InChIKey is YGDUJPOHOKVFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6/c1-17-6-5-9-32(15-17)20(4)23-12-24-27(30-14-23)34(29)28(31-24)26-13-22-10-18(2)19(3)11-25(22)33(26)16-21-7-8-21/h10-14,17,21H,4-9,15-16,29H2,1-3H3.
What are the key properties of 2-[1-(cyclopropylmethyl)-5,6-dimethylindol-2-yl]-6-[1-(3-methylpiperidin-1-yl)ethenyl]imidazo[4,5-b]pyridin-3-amine?
2-[1-(cyclopropylmethyl)-5,6-dimethylindol-2-yl]-6-[1-(3-methylpiperidin-1-yl)ethenyl]imidazo[4,5-b]pyridin-3-amine has a molecular weight of 454.62 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-5,6-dimethylindol-2-yl]-6-[1-(3-methylpiperidin-1-yl)ethenyl]imidazo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 155131883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).