3-[5-cyclohexa-1,5-dien-1-yl-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C28H29N7 — CID 171068847

IUPAC3-[5-cyclohexa-1,5-dien-1-yl-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(C3=CCCC=C3)nc2n1-c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C28H29N7/c29-26-23(7-4-14-31-26)27-33-25-13-12-24(21-5-2-1-3-6-21)32-28(25)35(27)22-10-8-20(9-11-22)19-34-17-15-30-16-18-34/h2,4-14,30H,1,3,15-19H2,(H2,29,31)
InChIKeyFSQSHJKVPYCERC-UHFFFAOYSA-N
MW463.59 g/mol
LogP4.20
Rot. Bonds5

About 3-[5-cyclohexa-1,5-dien-1-yl-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[5-cyclohexa-1,5-dien-1-yl-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 171068847) has the molecular formula C28H29N7 and a molecular weight of 463.59 g/mol. Its IUPAC name is 3-[5-cyclohexa-1,5-dien-1-yl-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[5-cyclohexa-1,5-dien-1-yl-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID171068847
Molecular FormulaC28H29N7
Molecular Weight463.59 g/mol
Exact Mass463.25
IUPAC Name3-[5-cyclohexa-1,5-dien-1-yl-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(C3=CCCC=C3)nc2n1-c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C28H29N7/c29-26-23(7-4-14-31-26)27-33-25-13-12-24(21-5-2-1-3-6-21)32-28(25)35(27)22-10-8-20(9-11-22)19-34-17-15-30-16-18-34/h2,4-14,30H,1,3,15-19H2,(H2,29,31)
InChIKeyFSQSHJKVPYCERC-UHFFFAOYSA-N
XLogP4.20
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[5-cyclohexa-1,5-dien-1-yl-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine with MolForge

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Related Compounds

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
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
3-[5-cyclohexa-1,5-dien-1-yl-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171069015
3-[3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171069116
3-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-cyclohexa-1,5-dien-1-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]-4-ethylcyclobut-3-ene-1,2-dione
CID 171068733
2-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]benzonitrile;ethane
CID 171103434
1-[9-[[4-[2-(2-amino-3-pyridinyl)-5-cyclohexa-1,5-dien-1-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2,9-diazaspiro[5.5]undecan-2-yl]prop-2-en-1-one
CID 171563304
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
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-[3-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]phenyl]acetamide;ethane
CID 171494002
3-[3-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495429
1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2,3-dihydropyridin-6-one
CID 171563522

Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclohexa-1,5-dien-1-yl-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 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) is 3-[5-cyclohexa-1,5-dien-1-yl-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[5-cyclohexa-1,5-dien-1-yl-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[5-cyclohexa-1,5-dien-1-yl-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Nc1ncccc1-c1nc2ccc(C3=CCCC=C3)nc2n1-c1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 3-[5-cyclohexa-1,5-dien-1-yl-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is FSQSHJKVPYCERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7/c29-26-23(7-4-14-31-26)27-33-25-13-12-24(21-5-2-1-3-6-21)32-28(25)35(27)22-10-8-20(9-11-22)19-34-17-15-30-16-18-34/h2,4-14,30H,1,3,15-19H2,(H2,29,31).
What are the key properties of 3-[5-cyclohexa-1,5-dien-1-yl-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[5-cyclohexa-1,5-dien-1-yl-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 463.59 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclohexa-1,5-dien-1-yl-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 171068847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).