1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2H-pyrrol-5-one

C33H31N7O — CID 171563343

IUPAC1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2H-pyrrol-5-one
SMILESNc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CN2CCC(N3CC=CC3=O)CC2)cc1
InChIInChI=1S/C33H31N7O/c34-31-27(8-4-18-35-31)32-37-29-15-14-28(24-6-2-1-3-7-24)36-33(29)40(32)26-12-10-23(11-13-26)22-38-20-16-25(17-21-38)39-19-5-9-30(39)41/h1-15,18,25H,16-17,19-22H2,(H2,34,35)
InChIKeyRSXWPDMZYMONIQ-UHFFFAOYSA-N
MW541.66 g/mol
LogP5.09
Rot. Bonds6

About 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2H-pyrrol-5-one

1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2H-pyrrol-5-one (PubChem CID 171563343) has the molecular formula C33H31N7O and a molecular weight of 541.66 g/mol. Its IUPAC name is 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2H-pyrrol-5-one
PubChem CID171563343
Molecular FormulaC33H31N7O
Molecular Weight541.66 g/mol
Exact Mass541.26
IUPAC Name1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2H-pyrrol-5-one
SMILESNc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CN2CCC(N3CC=CC3=O)CC2)cc1
InChIInChI=1S/C33H31N7O/c34-31-27(8-4-18-35-31)32-37-29-15-14-28(24-6-2-1-3-7-24)36-33(29)40(32)26-12-10-23(11-13-26)22-38-20-16-25(17-21-38)39-19-5-9-30(39)41/h1-15,18,25H,16-17,19-22H2,(H2,34,35)
InChIKeyRSXWPDMZYMONIQ-UHFFFAOYSA-N
XLogP5.09
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.66
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2H-pyrrol-5-one with MolForge

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Related Compounds

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
3-[3-[4-[(3-aminoazetidin-1-yl)methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171068885
cyanamide;3-[5-phenyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171625744
3-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-methylamino]-4-methylsulfanylcyclobut-3-ene-1,2-dione
CID 171069029
tert-butyl N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-N-cyclopropylcarbamate
CID 171103409
3-[3-[4-[[(3S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495303
1-[4-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]prop-2-en-1-one
CID 171563380
3-[3-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495429
ethane;3-[3-[4-[[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171103491
3-[3-[4-[(4-aminopiperidin-1-yl)-dideuteriomethyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride
CID 171494482
3-[4-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]-4-cyclopentyloxycyclobut-3-ene-1,2-dione
CID 171069083
3-[[(3S)-1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]pyrrolidin-3-yl]-methylamino]-4-methoxycyclobut-3-ene-1,2-dione
CID 171068919

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2H-pyrrol-5-one?
The IUPAC name of 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2H-pyrrol-5-one (CID 171563343) is 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2H-pyrrol-5-one.
What is the SMILES notation for 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2H-pyrrol-5-one?
The canonical SMILES for 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2H-pyrrol-5-one is Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CN2CCC(N3CC=CC3=O)CC2)cc1.
What is the InChIKey of 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2H-pyrrol-5-one?
The InChIKey is RSXWPDMZYMONIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N7O/c34-31-27(8-4-18-35-31)32-37-29-15-14-28(24-6-2-1-3-7-24)36-33(29)40(32)26-12-10-23(11-13-26)22-38-20-16-25(17-21-38)39-19-5-9-30(39)41/h1-15,18,25H,16-17,19-22H2,(H2,34,35).
What are the key properties of 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2H-pyrrol-5-one?
1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2H-pyrrol-5-one has a molecular weight of 541.66 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2H-pyrrol-5-one is sourced from PubChem (CID 171563343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).