3-[5-cyclohexyl-3-[4-[[4-(ethenylamino)piperidin-1-yl]methyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane

C33H43N7 — CID 171563366

IUPAC3-[5-cyclohexyl-3-[4-[[4-(ethenylamino)piperidin-1-yl]methyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
SMILESC=CNC1CCN(Cc2ccc(-n3c(-c4cccnc4N)nc4ccc(C5CCCCC5)nc43)cc2)CC1.CC
InChIInChI=1S/C31H37N7.C2H6/c1-2-33-24-16-19-37(20-17-24)21-22-10-12-25(13-11-22)38-30(26-9-6-18-34-29(26)32)36-28-15-14-27(35-31(28)38)23-7-4-3-5-8-23;1-2/h2,6,9-15,18,23-24,33H,1,3-5,7-8,16-17,19-21H2,(H2,32,34);1-2H3
InChIKeyJTTYDZNXSLTNJL-UHFFFAOYSA-N
MW537.76 g/mol
LogP6.84
Rot. Bonds7

About 3-[5-cyclohexyl-3-[4-[[4-(ethenylamino)piperidin-1-yl]methyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane

3-[5-cyclohexyl-3-[4-[[4-(ethenylamino)piperidin-1-yl]methyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane (PubChem CID 171563366) has the molecular formula C33H43N7 and a molecular weight of 537.76 g/mol. Its IUPAC name is 3-[5-cyclohexyl-3-[4-[[4-(ethenylamino)piperidin-1-yl]methyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane.

Molecular Properties

Compound Name3-[5-cyclohexyl-3-[4-[[4-(ethenylamino)piperidin-1-yl]methyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
PubChem CID171563366
Molecular FormulaC33H43N7
Molecular Weight537.76 g/mol
Exact Mass537.36
IUPAC Name3-[5-cyclohexyl-3-[4-[[4-(ethenylamino)piperidin-1-yl]methyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
SMILESC=CNC1CCN(Cc2ccc(-n3c(-c4cccnc4N)nc4ccc(C5CCCCC5)nc43)cc2)CC1.CC
InChIInChI=1S/C31H37N7.C2H6/c1-2-33-24-16-19-37(20-17-24)21-22-10-12-25(13-11-22)38-30(26-9-6-18-34-29(26)32)36-28-15-14-27(35-31(28)38)23-7-4-3-5-8-23;1-2/h2,6,9-15,18,23-24,33H,1,3-5,7-8,16-17,19-21H2,(H2,32,34);1-2H3
InChIKeyJTTYDZNXSLTNJL-UHFFFAOYSA-N
XLogP6.84
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.76
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]prop-2-enamide
CID 171563459
3-[3-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
CID 171563228
6-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-cyclopropylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-4-carbonitrile
CID 171494097
1-[[4-[2-(2-amino-3-pyridinyl)-5-cyclohexa-1,5-dien-1-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-N-methylazepan-4-amine
CID 171103128
tert-butyl N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]carbamate
CID 171495856
4-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-(oxolan-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171494473
tert-butyl N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]azepan-4-yl]carbamate
CID 171103401
(E)-N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-3-methoxyprop-2-enamide
CID 171563146
N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-(6-oxo-1H-pyridin-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]prop-2-enamide
CID 171563540
4-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171494026
3-[3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171069116
N-[(3R)-1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-3-yl]ethenesulfonamide
CID 171563275

Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclohexyl-3-[4-[[4-(ethenylamino)piperidin-1-yl]methyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane?
The IUPAC name of 3-[5-cyclohexyl-3-[4-[[4-(ethenylamino)piperidin-1-yl]methyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane (CID 171563366) is 3-[5-cyclohexyl-3-[4-[[4-(ethenylamino)piperidin-1-yl]methyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane.
What is the SMILES notation for 3-[5-cyclohexyl-3-[4-[[4-(ethenylamino)piperidin-1-yl]methyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane?
The canonical SMILES for 3-[5-cyclohexyl-3-[4-[[4-(ethenylamino)piperidin-1-yl]methyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane is C=CNC1CCN(Cc2ccc(-n3c(-c4cccnc4N)nc4ccc(C5CCCCC5)nc43)cc2)CC1.CC.
What is the InChIKey of 3-[5-cyclohexyl-3-[4-[[4-(ethenylamino)piperidin-1-yl]methyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane?
The InChIKey is JTTYDZNXSLTNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N7.C2H6/c1-2-33-24-16-19-37(20-17-24)21-22-10-12-25(13-11-22)38-30(26-9-6-18-34-29(26)32)36-28-15-14-27(35-31(28)38)23-7-4-3-5-8-23;1-2/h2,6,9-15,18,23-24,33H,1,3-5,7-8,16-17,19-21H2,(H2,32,34);1-2H3.
What are the key properties of 3-[5-cyclohexyl-3-[4-[[4-(ethenylamino)piperidin-1-yl]methyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane?
3-[5-cyclohexyl-3-[4-[[4-(ethenylamino)piperidin-1-yl]methyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane has a molecular weight of 537.76 g/mol, XLogP of 6.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclohexyl-3-[4-[[4-(ethenylamino)piperidin-1-yl]methyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane is sourced from PubChem (CID 171563366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).