N-[3-[(6R)-8-amino-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide

C20H16FN7O — CID 121298035

IUPACN-[3-[(6R)-8-amino-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cn2ccnc2C(N)=N1
InChIInChI=1S/C20H16FN7O/c1-20(11-28-7-6-24-18(28)17(23)27-20)14-8-13(3-4-15(14)21)26-19(29)16-5-2-12(9-22)10-25-16/h2-8,10H,11H2,1H3,(H2,23,27)(H,26,29)/t20-/m0/s1
InChIKeyPURBTYQRCRLUGF-FQEVSTJZSA-N
MW389.39 g/mol
LogP2.18
Rot. Bonds3

About N-[3-[(6R)-8-amino-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide

N-[3-[(6R)-8-amino-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide (PubChem CID 121298035) has the molecular formula C20H16FN7O and a molecular weight of 389.39 g/mol. Its IUPAC name is N-[3-[(6R)-8-amino-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(6R)-8-amino-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
PubChem CID121298035
Molecular FormulaC20H16FN7O
Molecular Weight389.39 g/mol
Exact Mass389.14
IUPAC NameN-[3-[(6R)-8-amino-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cn2ccnc2C(N)=N1
InChIInChI=1S/C20H16FN7O/c1-20(11-28-7-6-24-18(28)17(23)27-20)14-8-13(3-4-15(14)21)26-19(29)16-5-2-12(9-22)10-25-16/h2-8,10H,11H2,1H3,(H2,23,27)(H,26,29)/t20-/m0/s1
InChIKeyPURBTYQRCRLUGF-FQEVSTJZSA-N
XLogP2.18
TPSA121.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
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4-(tert-Butyl)-N-(3-(8-(phenylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)benzamide
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N-{3-[4-(3-Azido-phenyl)-5-pyridin-4-yl-imidazol-1-yl]-propyl}-4-iodo-benzamide
CID 44404442
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CID 90656190
3-cyano-N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
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2-fluoro-4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)benzamide
CID 44563146
2-fluoro-4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)-N-(1-methylpiperidin-4-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6R)-8-amino-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-[3-[(6R)-8-amino-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide (CID 121298035) is N-[3-[(6R)-8-amino-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(6R)-8-amino-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[3-[(6R)-8-amino-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide is C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cn2ccnc2C(N)=N1.
What is the InChIKey of N-[3-[(6R)-8-amino-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
The InChIKey is PURBTYQRCRLUGF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H16FN7O/c1-20(11-28-7-6-24-18(28)17(23)27-20)14-8-13(3-4-15(14)21)26-19(29)16-5-2-12(9-22)10-25-16/h2-8,10H,11H2,1H3,(H2,23,27)(H,26,29)/t20-/m0/s1.
What are the key properties of N-[3-[(6R)-8-amino-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
N-[3-[(6R)-8-amino-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide has a molecular weight of 389.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6R)-8-amino-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 121298035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).