N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]prop-2-enamide

C20H23N7O — CID 171563252

IUPACN-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(n2c(-c3cccnc3N)nc3ccc(C)nc32)CC1
InChIInChI=1S/C20H23N7O/c1-3-17(28)24-14-8-11-26(12-9-14)27-19(15-5-4-10-22-18(15)21)25-16-7-6-13(2)23-20(16)27/h3-7,10,14H,1,8-9,11-12H2,2H3,(H2,21,22)(H,24,28)
InChIKeyFZEGYDAIUGMXPC-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.79
Rot. Bonds4

About N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]prop-2-enamide

N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]prop-2-enamide (PubChem CID 171563252) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]prop-2-enamide
PubChem CID171563252
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC NameN-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(n2c(-c3cccnc3N)nc3ccc(C)nc32)CC1
InChIInChI=1S/C20H23N7O/c1-3-17(28)24-14-8-11-26(12-9-14)27-19(15-5-4-10-22-18(15)21)25-16-7-6-13(2)23-20(16)27/h3-7,10,14H,1,8-9,11-12H2,2H3,(H2,21,22)(H,24,28)
InChIKeyFZEGYDAIUGMXPC-UHFFFAOYSA-N
XLogP1.79
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]carbamate
CID 171563426
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
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
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
(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
tert-butyl N-[1-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]but-3-enyl]azepan-4-yl]carbamate
CID 171068728
4-[[1-[2-(2-amino-3-pyridinyl)-5-[6-(1-fluoroethyl)-3-pyridinyl]imidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171496337
N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]prop-2-enamide
CID 177316769
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]prop-2-enamide?
The IUPAC name of N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]prop-2-enamide (CID 171563252) is N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]prop-2-enamide.
What is the SMILES notation for N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]prop-2-enamide?
The canonical SMILES for N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]prop-2-enamide is C=CC(=O)NC1CCN(n2c(-c3cccnc3N)nc3ccc(C)nc32)CC1.
What is the InChIKey of N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]prop-2-enamide?
The InChIKey is FZEGYDAIUGMXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-3-17(28)24-14-8-11-26(12-9-14)27-19(15-5-4-10-22-18(15)21)25-16-7-6-13(2)23-20(16)27/h3-7,10,14H,1,8-9,11-12H2,2H3,(H2,21,22)(H,24,28).
What are the key properties of N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]prop-2-enamide?
N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]prop-2-enamide has a molecular weight of 377.45 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 171563252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).