2-(4-fluorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide

C18H19FN6O — CID 46863195

IUPAC2-(4-fluorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C18H19FN6O/c19-12-5-3-11(4-6-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-2-1-7-21-8-13/h3-6,9-10,13,21H,1-2,7-8H2,(H2,20,26)(H,22,23)/t13-/m0/s1
InChIKeyBCBAEHQTYTYENT-ZDUSSCGKSA-N
MW354.39 g/mol
LogP1.80
Rot. Bonds4

About 2-(4-fluorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide

2-(4-fluorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide (PubChem CID 46863195) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide
PubChem CID46863195
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name2-(4-fluorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C18H19FN6O/c19-12-5-3-11(4-6-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-2-1-7-21-8-13/h3-6,9-10,13,21H,1-2,7-8H2,(H2,20,26)(H,22,23)/t13-/m0/s1
InChIKeyBCBAEHQTYTYENT-ZDUSSCGKSA-N
XLogP1.80
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

AR-H047108
CID 9864291
(2R,3R)-3-[[6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)pyrazin-2-yl]amino]-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 56834890
VK-19911
CID 9797240
(3R)-1-(2-(1-((4-fluorophenyl)methyl)-1H-indol-2-yl)-3-methylimidazo(1,2-a)pyridine-7-carbonyl)piperidin-3-amine
CID 138578805
Ins018_055
CID 164938183
N-[[4-[[(2S)-4-cyclohexyl-1-[(1-methylsulfonylpiperidin-3-yl)amino]-1-oxobutan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 155568238
Imidazo(2,1-a)isoquinoline-2-carbohydrazide
CID 869249
(2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo(1,2-a)Pyridin-3-Yl)-Phenyl-Methanone
CID 5289179
1-Benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 21604934
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 712408
Pimefyllin
CID 65597
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-butyl-1-methyl-7-phenyl-
CID 3069971

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide (CID 46863195) is 2-(4-fluorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide is NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of 2-(4-fluorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide?
The InChIKey is BCBAEHQTYTYENT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19FN6O/c19-12-5-3-11(4-6-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-2-1-7-21-8-13/h3-6,9-10,13,21H,1-2,7-8H2,(H2,20,26)(H,22,23)/t13-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide?
2-(4-fluorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide is sourced from PubChem (CID 46863195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).