1-[2-[3-(4,4-difluoropiperidin-1-yl)azetidin-1-yl]ethyl]-6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridine

C28H34F2N8 — CID 152668848

IUPAC1-[2-[3-(4,4-difluoropiperidin-1-yl)azetidin-1-yl]ethyl]-6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridine
SMILESFC1(F)CCN(C2CN(CCn3ccc4ccc(N5CCN(c6cccc7nccn67)CC5)nc43)C2)CC1
InChIInChI=1S/C28H34F2N8/c29-28(30)7-11-34(12-8-28)23-20-33(21-23)14-15-37-10-6-22-4-5-25(32-27(22)37)35-16-18-36(19-17-35)26-3-1-2-24-31-9-13-38(24)26/h1-6,9-10,13,23H,7-8,11-12,14-21H2
InChIKeyZLCABRIABGGRRK-UHFFFAOYSA-N
MW520.63 g/mol
LogP3.43
Rot. Bonds6

About 1-[2-[3-(4,4-difluoropiperidin-1-yl)azetidin-1-yl]ethyl]-6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridine

1-[2-[3-(4,4-difluoropiperidin-1-yl)azetidin-1-yl]ethyl]-6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridine (PubChem CID 152668848) has the molecular formula C28H34F2N8 and a molecular weight of 520.63 g/mol. Its IUPAC name is 1-[2-[3-(4,4-difluoropiperidin-1-yl)azetidin-1-yl]ethyl]-6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[2-[3-(4,4-difluoropiperidin-1-yl)azetidin-1-yl]ethyl]-6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridine
PubChem CID152668848
Molecular FormulaC28H34F2N8
Molecular Weight520.63 g/mol
Exact Mass520.29
IUPAC Name1-[2-[3-(4,4-difluoropiperidin-1-yl)azetidin-1-yl]ethyl]-6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridine
SMILESFC1(F)CCN(C2CN(CCn3ccc4ccc(N5CCN(c6cccc7nccn67)CC5)nc43)C2)CC1
InChIInChI=1S/C28H34F2N8/c29-28(30)7-11-34(12-8-28)23-20-33(21-23)14-15-37-10-6-22-4-5-25(32-27(22)37)35-16-18-36(19-17-35)26-3-1-2-24-31-9-13-38(24)26/h1-6,9-10,13,23H,7-8,11-12,14-21H2
InChIKeyZLCABRIABGGRRK-UHFFFAOYSA-N
XLogP3.43
TPSA48.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.63
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[2-[3-(4,4-difluoropiperidin-1-yl)azetidin-1-yl]ethyl]-6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
9-Cyclopentyl-N-(5-Piperazin-1-Ylpyridin-2-Yl)pyrido[4,5]pyrrolo[1,2-D]pyrimidin-2-Amine
CID 44132585
7,12-Bis(4-benzylpiperazin-1-yl)-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10553922
7-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10666301
N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 11554349
(8S)-N-{[5-(Hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)imidazo[1,2-a]pyridin-2-yl]methyl}-N-methyl-5,6,7,8-tetrahydro-8-quinolinamine
CID 11633069
N-piperidin-4-yl-6-[6-(1H-pyrrol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 44448971
8-cyclopentyl-10-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299836
8-cyclopentyl-10-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300068
4-[7-[6-(6,6-Difluoro-2-azaspiro[3.3]heptan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline
CID 139326880
5-fluoro-N-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 166627766
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 166627884

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4,4-difluoropiperidin-1-yl)azetidin-1-yl]ethyl]-6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[2-[3-(4,4-difluoropiperidin-1-yl)azetidin-1-yl]ethyl]-6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridine (CID 152668848) is 1-[2-[3-(4,4-difluoropiperidin-1-yl)azetidin-1-yl]ethyl]-6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[2-[3-(4,4-difluoropiperidin-1-yl)azetidin-1-yl]ethyl]-6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[2-[3-(4,4-difluoropiperidin-1-yl)azetidin-1-yl]ethyl]-6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridine is FC1(F)CCN(C2CN(CCn3ccc4ccc(N5CCN(c6cccc7nccn67)CC5)nc43)C2)CC1.
What is the InChIKey of 1-[2-[3-(4,4-difluoropiperidin-1-yl)azetidin-1-yl]ethyl]-6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is ZLCABRIABGGRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F2N8/c29-28(30)7-11-34(12-8-28)23-20-33(21-23)14-15-37-10-6-22-4-5-25(32-27(22)37)35-16-18-36(19-17-35)26-3-1-2-24-31-9-13-38(24)26/h1-6,9-10,13,23H,7-8,11-12,14-21H2.
What are the key properties of 1-[2-[3-(4,4-difluoropiperidin-1-yl)azetidin-1-yl]ethyl]-6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridine?
1-[2-[3-(4,4-difluoropiperidin-1-yl)azetidin-1-yl]ethyl]-6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 520.63 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4,4-difluoropiperidin-1-yl)azetidin-1-yl]ethyl]-6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 152668848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).