N-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]-3-cyanopyridazine-4-carboxamide

C28H24N10O — CID 171494417

IUPACN-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]-3-cyanopyridazine-4-carboxamide
SMILESN#Cc1nnccc1C(=O)NC1CCN(n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)CC1
InChIInChI=1S/C28H24N10O/c29-17-24-20(10-14-32-36-24)28(39)33-19-11-15-37(16-12-19)38-26(21-7-4-13-31-25(21)30)35-23-9-8-22(34-27(23)38)18-5-2-1-3-6-18/h1-10,13-14,19H,11-12,15-16H2,(H2,30,31)(H,33,39)
InChIKeyORKDUZXGKFQYDP-UHFFFAOYSA-N
MW516.57 g/mol
LogP2.93
Rot. Bonds5

About N-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]-3-cyanopyridazine-4-carboxamide

N-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]-3-cyanopyridazine-4-carboxamide (PubChem CID 171494417) has the molecular formula C28H24N10O and a molecular weight of 516.57 g/mol. Its IUPAC name is N-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]-3-cyanopyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]-3-cyanopyridazine-4-carboxamide
PubChem CID171494417
Molecular FormulaC28H24N10O
Molecular Weight516.57 g/mol
Exact Mass516.21
IUPAC NameN-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]-3-cyanopyridazine-4-carboxamide
SMILESN#Cc1nnccc1C(=O)NC1CCN(n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)CC1
InChIInChI=1S/C28H24N10O/c29-17-24-20(10-14-32-36-24)28(39)33-19-11-15-37(16-12-19)38-26(21-7-4-13-31-25(21)30)35-23-9-8-22(34-27(23)38)18-5-2-1-3-6-18/h1-10,13-14,19H,11-12,15-16H2,(H2,30,31)(H,33,39)
InChIKeyORKDUZXGKFQYDP-UHFFFAOYSA-N
XLogP2.93
TPSA151.53 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.57
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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-(4-aminopiperidin-1-yl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile
CID 171496360
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-[[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]amino]-2-methoxybenzaldehyde
CID 174252150
N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]prop-2-enamide
CID 171563252
N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-6-cyanopyrimidine-4-carboxamide
CID 171494894
tert-butyl N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]carbamate
CID 171563426
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-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-3-formyl-2-hydroxybenzamide;ethane
CID 171103485
(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
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]-3-cyanopyridazine-4-carboxamide?
The IUPAC name of N-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]-3-cyanopyridazine-4-carboxamide (CID 171494417) is N-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]-3-cyanopyridazine-4-carboxamide.
What is the SMILES notation for N-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]-3-cyanopyridazine-4-carboxamide?
The canonical SMILES for N-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]-3-cyanopyridazine-4-carboxamide is N#Cc1nnccc1C(=O)NC1CCN(n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)CC1.
What is the InChIKey of N-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]-3-cyanopyridazine-4-carboxamide?
The InChIKey is ORKDUZXGKFQYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N10O/c29-17-24-20(10-14-32-36-24)28(39)33-19-11-15-37(16-12-19)38-26(21-7-4-13-31-25(21)30)35-23-9-8-22(34-27(23)38)18-5-2-1-3-6-18/h1-10,13-14,19H,11-12,15-16H2,(H2,30,31)(H,33,39).
What are the key properties of N-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]-3-cyanopyridazine-4-carboxamide?
N-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]-3-cyanopyridazine-4-carboxamide has a molecular weight of 516.57 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]-3-cyanopyridazine-4-carboxamide is sourced from PubChem (CID 171494417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).