N-[3-[(6R)-4-amino-2-cyano-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide

C20H15F2N7O — CID 140629026

IUPACN-[3-[(6R)-4-amino-2-cyano-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)Cn2nc(C#N)cc2C(N)=N1
InChIInChI=1S/C20H15F2N7O/c1-20(10-29-17(18(24)27-20)7-13(8-23)28-29)14-6-12(3-4-15(14)22)26-19(30)16-5-2-11(21)9-25-16/h2-7,9H,10H2,1H3,(H2,24,27)(H,26,30)/t20-/m0/s1
InChIKeyAMWCDMOOTAVMSV-FQEVSTJZSA-N
MW407.38 g/mol
LogP2.31
Rot. Bonds3

About N-[3-[(6R)-4-amino-2-cyano-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide

N-[3-[(6R)-4-amino-2-cyano-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide (PubChem CID 140629026) has the molecular formula C20H15F2N7O and a molecular weight of 407.38 g/mol. Its IUPAC name is N-[3-[(6R)-4-amino-2-cyano-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(6R)-4-amino-2-cyano-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
PubChem CID140629026
Molecular FormulaC20H15F2N7O
Molecular Weight407.38 g/mol
Exact Mass407.13
IUPAC NameN-[3-[(6R)-4-amino-2-cyano-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)Cn2nc(C#N)cc2C(N)=N1
InChIInChI=1S/C20H15F2N7O/c1-20(10-29-17(18(24)27-20)7-13(8-23)28-29)14-6-12(3-4-15(14)22)26-19(30)16-5-2-11(21)9-25-16/h2-7,9H,10H2,1H3,(H2,24,27)(H,26,30)/t20-/m0/s1
InChIKeyAMWCDMOOTAVMSV-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

Atabecestat
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N-[3-[(6R)-4-amino-6-methyl-7H-triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
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N-[3-(1-amino-5-fluoro-3-methyl-4H-2,6-naphthyridin-3-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
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N-[3-[(6R)-4-amino-2-cyano-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 140629024
N-[3-[(3S)-1-amino-5-fluoro-3-methyl-4H-2,6-naphthyridin-3-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
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N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyridine-2-carboxamide
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US10889564, Example 1
CID 24819270
US10889564, Example 3
CID 42216319

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6R)-4-amino-2-cyano-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[3-[(6R)-4-amino-2-cyano-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide (CID 140629026) is N-[3-[(6R)-4-amino-2-cyano-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(6R)-4-amino-2-cyano-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[3-[(6R)-4-amino-2-cyano-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide is C[C@@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)Cn2nc(C#N)cc2C(N)=N1.
What is the InChIKey of N-[3-[(6R)-4-amino-2-cyano-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is AMWCDMOOTAVMSV-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H15F2N7O/c1-20(10-29-17(18(24)27-20)7-13(8-23)28-29)14-6-12(3-4-15(14)22)26-19(30)16-5-2-11(21)9-25-16/h2-7,9H,10H2,1H3,(H2,24,27)(H,26,30)/t20-/m0/s1.
What are the key properties of N-[3-[(6R)-4-amino-2-cyano-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
N-[3-[(6R)-4-amino-2-cyano-6-methyl-7H-pyrazolo[1,5-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)-4-amino-2-cyano-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 140629026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).