3-[[5-(3-amino-3-pyridin-2-ylpiperidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine

C28H26F2N8 — CID 174280872

IUPAC3-[[5-(3-amino-3-pyridin-2-ylpiperidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESNc1nccn2c(Cc3cc(-c4ccc(F)c(F)c4)ncc3N3CCCC(N)(c4ccccn4)C3)cnc12
InChIInChI=1S/C28H26F2N8/c29-21-6-5-18(13-22(21)30)23-14-19(12-20-15-36-27-26(31)34-9-11-38(20)27)24(16-35-23)37-10-3-7-28(32,17-37)25-4-1-2-8-33-25/h1-2,4-6,8-9,11,13-16H,3,7,10,12,17,32H2,(H2,31,34)
InChIKeyDXNVXQSZTKKADM-UHFFFAOYSA-N
MW512.57 g/mol
LogP4.09
Rot. Bonds5

About 3-[[5-(3-amino-3-pyridin-2-ylpiperidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine

3-[[5-(3-amino-3-pyridin-2-ylpiperidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 174280872) has the molecular formula C28H26F2N8 and a molecular weight of 512.57 g/mol. Its IUPAC name is 3-[[5-(3-amino-3-pyridin-2-ylpiperidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[[5-(3-amino-3-pyridin-2-ylpiperidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID174280872
Molecular FormulaC28H26F2N8
Molecular Weight512.57 g/mol
Exact Mass512.22
IUPAC Name3-[[5-(3-amino-3-pyridin-2-ylpiperidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESNc1nccn2c(Cc3cc(-c4ccc(F)c(F)c4)ncc3N3CCCC(N)(c4ccccn4)C3)cnc12
InChIInChI=1S/C28H26F2N8/c29-21-6-5-18(13-22(21)30)23-14-19(12-20-15-36-27-26(31)34-9-11-38(20)27)24(16-35-23)37-10-3-7-28(32,17-37)25-4-1-2-8-33-25/h1-2,4-6,8-9,11,13-16H,3,7,10,12,17,32H2,(H2,31,34)
InChIKeyDXNVXQSZTKKADM-UHFFFAOYSA-N
XLogP4.09
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.57
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[5-(3-amino-3-pyridin-2-ylpiperidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine with MolForge

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Related Compounds

3-[[5-(3-aminopyrrolidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine
CID 176553504
3-[[5-[(3R)-3-aminopiperidin-1-yl]-2-quinolin-6-yl-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine
CID 176553497
9-[[5-[(3R)-3-amino-3-methylpiperidin-1-yl]-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]purin-6-amine
CID 167180587
1-[[5-[(3R)-3-amino-3-(6-chloro-2-pyridinyl)piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)-4-pyridinyl]methyl]imidazo[4,5-c]pyridin-4-amine
CID 176759119
methyl N-[1-[6-(3,4-difluorophenyl)-4-[hydroxy-[4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-pyridinyl]-3-pyridin-2-ylpiperidin-3-yl]carbamate
CID 176553471
1-benzyl-3-pyridin-2-ylpiperidin-3-amine
CID 83693801
N'-[9-[[5-[(3R)-3-(benzylamino)-3-pyridin-2-ylpiperidin-1-yl]-2-(3,5-difluoro-4-methoxyphenyl)-4-pyridinyl]methyl]purin-6-yl]pentane-1,5-diamine
CID 176766600
methyl N-[1-[4-[(2-tert-butyl-6-carbamoyloxypurin-9-yl)methyl]-6-(3,4-difluorophenyl)-3-pyridinyl]-3-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 175241140
1-[[2-(3,4-difluorophenyl)-5-[(3S)-3-(2-methyltriazol-4-yl)piperidin-1-yl]-4-pyridinyl]methyl]imidazo[4,5-c]pyridin-4-amine
CID 164850538
[4-[5-[(3S)-3-amino-3-(2,2-difluoroethyl)piperidin-1-yl]-4-[(6-aminopurin-9-yl)methyl]-2-pyridinyl]-2-fluorophenoxy]methyl morpholine-4-carboxylate
CID 176591491
(2-phenyl-5-pyrrolidin-1-yl-4-pyridinyl)methanol
CID 156815347
(1S)-1-[(3R)-3-amino-1-[2-[(6-aminopurin-9-yl)methyl]-6-(3,4-difluorophenyl)-3-pyridinyl]piperidin-3-yl]-2,2-difluoroethanol
CID 170601042

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-amino-3-pyridin-2-ylpiperidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-[[5-(3-amino-3-pyridin-2-ylpiperidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine (CID 174280872) is 3-[[5-(3-amino-3-pyridin-2-ylpiperidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-[[5-(3-amino-3-pyridin-2-ylpiperidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-[[5-(3-amino-3-pyridin-2-ylpiperidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine is Nc1nccn2c(Cc3cc(-c4ccc(F)c(F)c4)ncc3N3CCCC(N)(c4ccccn4)C3)cnc12.
What is the InChIKey of 3-[[5-(3-amino-3-pyridin-2-ylpiperidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is DXNVXQSZTKKADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N8/c29-21-6-5-18(13-22(21)30)23-14-19(12-20-15-36-27-26(31)34-9-11-38(20)27)24(16-35-23)37-10-3-7-28(32,17-37)25-4-1-2-8-33-25/h1-2,4-6,8-9,11,13-16H,3,7,10,12,17,32H2,(H2,31,34).
What are the key properties of 3-[[5-(3-amino-3-pyridin-2-ylpiperidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine?
3-[[5-(3-amino-3-pyridin-2-ylpiperidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 512.57 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-amino-3-pyridin-2-ylpiperidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 174280872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).