3-[5-(cyclohexen-1-yl)-3-piperazin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C21H25N7 — CID 174251026

IUPAC3-[5-(cyclohexen-1-yl)-3-piperazin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(C3=CCCCC3)nc2n1N1CCNCC1
InChIInChI=1S/C21H25N7/c22-19-16(7-4-10-24-19)20-26-18-9-8-17(15-5-2-1-3-6-15)25-21(18)28(20)27-13-11-23-12-14-27/h4-5,7-10,23H,1-3,6,11-14H2,(H2,22,24)
InChIKeyADISNMIXCSZSPM-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.57
Rot. Bonds3

About 3-[5-(cyclohexen-1-yl)-3-piperazin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[5-(cyclohexen-1-yl)-3-piperazin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 174251026) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is 3-[5-(cyclohexen-1-yl)-3-piperazin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[5-(cyclohexen-1-yl)-3-piperazin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID174251026
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC Name3-[5-(cyclohexen-1-yl)-3-piperazin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(C3=CCCCC3)nc2n1N1CCNCC1
InChIInChI=1S/C21H25N7/c22-19-16(7-4-10-24-19)20-26-18-9-8-17(15-5-2-1-3-6-15)25-21(18)28(20)27-13-11-23-12-14-27/h4-5,7-10,23H,1-3,6,11-14H2,(H2,22,24)
InChIKeyADISNMIXCSZSPM-UHFFFAOYSA-N
XLogP2.57
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[5-(cyclohexen-1-yl)-3-piperazin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine with MolForge

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Related Compounds

3-(5-phenyl-3-piperazin-1-ylimidazo[4,5-b]pyridin-2-yl)pyridin-2-amine
CID 171495630
3-[3-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171068857
3-[3-(4-aminopiperidin-1-yl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile
CID 171496360
3-[5-cyclohexa-1,5-dien-1-yl-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171068847
3-[5-(3-methylcyclobuta-1,3-dien-1-yl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495198
3-[3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171069116
5-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]-1-methylpyridin-2-one
CID 171103460
2-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]benzonitrile;ethane
CID 171103434
tert-butyl 4-[2-(2-amino-3-pyridinyl)-5-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]piperazine-1-carboxylate
CID 174249634
5-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]-1H-pyridin-2-one;ethane
CID 171495365
N-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]-3-cyanopyridazine-4-carboxamide
CID 171494417
3-[[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]amino]-2-methoxybenzaldehyde
CID 174252150

Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclohexen-1-yl)-3-piperazin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[5-(cyclohexen-1-yl)-3-piperazin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 174251026) is 3-[5-(cyclohexen-1-yl)-3-piperazin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[5-(cyclohexen-1-yl)-3-piperazin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[5-(cyclohexen-1-yl)-3-piperazin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Nc1ncccc1-c1nc2ccc(C3=CCCCC3)nc2n1N1CCNCC1.
What is the InChIKey of 3-[5-(cyclohexen-1-yl)-3-piperazin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is ADISNMIXCSZSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c22-19-16(7-4-10-24-19)20-26-18-9-8-17(15-5-2-1-3-6-15)25-21(18)28(20)27-13-11-23-12-14-27/h4-5,7-10,23H,1-3,6,11-14H2,(H2,22,24).
What are the key properties of 3-[5-(cyclohexen-1-yl)-3-piperazin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[5-(cyclohexen-1-yl)-3-piperazin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 375.48 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclohexen-1-yl)-3-piperazin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 174251026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).