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

C20H15F2N7O — CID 67984618

IUPACN-[3-[(6R)-8-amino-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)Cn2c(C#N)cnc2C(N)=N1
InChIInChI=1S/C20H15F2N7O/c1-20(10-29-13(7-23)9-26-18(29)17(24)28-20)14-6-12(3-4-15(14)22)27-19(30)16-5-2-11(21)8-25-16/h2-6,8-9H,10H2,1H3,(H2,24,28)(H,27,30)/t20-/m0/s1
InChIKeyPDOPEKODNLOZRJ-FQEVSTJZSA-N
MW407.38 g/mol
LogP2.31
Rot. Bonds3

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

N-[3-[(6R)-8-amino-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide (PubChem CID 67984618) has the molecular formula C20H15F2N7O and a molecular weight of 407.38 g/mol. Its IUPAC name is N-[3-[(6R)-8-amino-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(6R)-8-amino-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
PubChem CID67984618
Molecular FormulaC20H15F2N7O
Molecular Weight407.38 g/mol
Exact Mass407.13
IUPAC NameN-[3-[(6R)-8-amino-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)Cn2c(C#N)cnc2C(N)=N1
InChIInChI=1S/C20H15F2N7O/c1-20(10-29-13(7-23)9-26-18(29)17(24)28-20)14-6-12(3-4-15(14)22)27-19(30)16-5-2-11(21)8-25-16/h2-6,8-9H,10H2,1H3,(H2,24,28)(H,27,30)/t20-/m0/s1
InChIKeyPDOPEKODNLOZRJ-FQEVSTJZSA-N
XLogP2.31
TPSA121.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 52.31
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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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
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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6R)-8-amino-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[3-[(6R)-8-amino-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide (CID 67984618) is N-[3-[(6R)-8-amino-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(6R)-8-amino-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[3-[(6R)-8-amino-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide is C[C@@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)Cn2c(C#N)cnc2C(N)=N1.
What is the InChIKey of N-[3-[(6R)-8-amino-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is PDOPEKODNLOZRJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H15F2N7O/c1-20(10-29-13(7-23)9-26-18(29)17(24)28-20)14-6-12(3-4-15(14)22)27-19(30)16-5-2-11(21)8-25-16/h2-6,8-9H,10H2,1H3,(H2,24,28)(H,27,30)/t20-/m0/s1.
What are the key properties of N-[3-[(6R)-8-amino-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
N-[3-[(6R)-8-amino-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 407.38 g/mol, XLogP of 2.31, 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-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 67984618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).