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

C22H21F2N7 — CID 176553504

IUPAC3-[[5-(3-aminopyrrolidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESNc1nccn2c(Cc3cc(-c4ccc(F)c(F)c4)ncc3N3CCC(N)C3)cnc12
InChIInChI=1S/C22H21F2N7/c23-17-2-1-13(8-18(17)24)19-9-14(20(11-28-19)30-5-3-15(25)12-30)7-16-10-29-22-21(26)27-4-6-31(16)22/h1-2,4,6,8-11,15H,3,5,7,12,25H2,(H2,26,27)
InChIKeyPUCURKYUESQEDH-UHFFFAOYSA-N
MW421.46 g/mol
LogP2.78
Rot. Bonds4

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

3-[[5-(3-aminopyrrolidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 176553504) has the molecular formula C22H21F2N7 and a molecular weight of 421.46 g/mol. Its IUPAC name is 3-[[5-(3-aminopyrrolidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[[5-(3-aminopyrrolidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID176553504
Molecular FormulaC22H21F2N7
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name3-[[5-(3-aminopyrrolidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESNc1nccn2c(Cc3cc(-c4ccc(F)c(F)c4)ncc3N3CCC(N)C3)cnc12
InChIInChI=1S/C22H21F2N7/c23-17-2-1-13(8-18(17)24)19-9-14(20(11-28-19)30-5-3-15(25)12-30)7-16-10-29-22-21(26)27-4-6-31(16)22/h1-2,4,6,8-11,15H,3,5,7,12,25H2,(H2,26,27)
InChIKeyPUCURKYUESQEDH-UHFFFAOYSA-N
XLogP2.78
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[5-[(3R)-3-aminopiperidin-1-yl]-2-quinolin-6-yl-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine
CID 176553497
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
3-[[5-[(3R)-3-aminopiperidin-1-yl]-2-(2-isocyano-4-methoxyphenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine
CID 176846346
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
9-[[5-[(3R)-3-amino-3-methylpiperidin-1-yl]-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]purin-6-amine
CID 167180587
1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine
CID 66854552
4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602
9-[[5-[(3R)-3-amino-2-(2,2-difluoroethoxymethyl)piperidin-1-yl]-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]purin-6-amine
CID 167289124
6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 69028705
(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine
CID 66954813
9-[[6-(3-aminopyrrolidin-1-yl)-3-fluoro-2-(trifluoromethyl)phenyl]methyl]purin-6-amine;benzene
CID 156707193
4-(3-aminopyrrolidin-1-yl)-N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-N-methylpyrimidin-2-amine
CID 166302171

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-aminopyrrolidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-[[5-(3-aminopyrrolidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine (CID 176553504) is 3-[[5-(3-aminopyrrolidin-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-aminopyrrolidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-[[5-(3-aminopyrrolidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine is Nc1nccn2c(Cc3cc(-c4ccc(F)c(F)c4)ncc3N3CCC(N)C3)cnc12.
What is the InChIKey of 3-[[5-(3-aminopyrrolidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is PUCURKYUESQEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7/c23-17-2-1-13(8-18(17)24)19-9-14(20(11-28-19)30-5-3-15(25)12-30)7-16-10-29-22-21(26)27-4-6-31(16)22/h1-2,4,6,8-11,15H,3,5,7,12,25H2,(H2,26,27).
What are the key properties of 3-[[5-(3-aminopyrrolidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine?
3-[[5-(3-aminopyrrolidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 421.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-aminopyrrolidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 176553504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).