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

C20H16F4N6O — CID 121353289

IUPACN-[3-[4-amino-2-(difluoromethyl)-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
SMILESCC1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)Cn2nc(C(F)F)cc2C(N)=N1
InChIInChI=1S/C20H16F4N6O/c1-20(9-30-16(18(25)28-20)7-15(29-30)17(23)24)12-6-11(3-4-13(12)22)27-19(31)14-5-2-10(21)8-26-14/h2-8,17H,9H2,1H3,(H2,25,28)(H,27,31)
InChIKeyOEZZFXJTIVWPDK-UHFFFAOYSA-N
MW432.38 g/mol
LogP3.38
Rot. Bonds4

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

N-[3-[4-amino-2-(difluoromethyl)-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide (PubChem CID 121353289) has the molecular formula C20H16F4N6O and a molecular weight of 432.38 g/mol. Its IUPAC name is N-[3-[4-amino-2-(difluoromethyl)-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-amino-2-(difluoromethyl)-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
PubChem CID121353289
Molecular FormulaC20H16F4N6O
Molecular Weight432.38 g/mol
Exact Mass432.13
IUPAC NameN-[3-[4-amino-2-(difluoromethyl)-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
SMILESCC1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)Cn2nc(C(F)F)cc2C(N)=N1
InChIInChI=1S/C20H16F4N6O/c1-20(9-30-16(18(25)28-20)7-15(29-30)17(23)24)12-6-11(3-4-13(12)22)27-19(31)14-5-2-10(21)8-26-14/h2-8,17H,9H2,1H3,(H2,25,28)(H,27,31)
InChIKeyOEZZFXJTIVWPDK-UHFFFAOYSA-N
XLogP3.38
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(6R)-8-amino-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 123998272
N-[3-(5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 77143112
N-[3-[(2S)-3-amino-2,5-dimethyl-6,7-dihydro-2H-1,4-thiazepin-5-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 123976579
N-[3-(8-amino-6-methyl-5H-imidazo[1,5-a]pyrazin-6-yl)-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 123618518
N-[3-[(5S)-3-amino-5-methyl-6,7-dihydro-2H-1,4-oxazepin-5-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 54579581
N-[3-[(3R)-5-amino-1,1-dihydroxy-3,9-dimethyl-1λ4-thia-4,9-diazaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 118661958
N-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 75603740
N-[3-(6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl)-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 123530631
N-[3-[(5R,6S)-3-amino-1-hydroxy-2,2,5-trimethyl-1λ4-thia-4,9-diazabicyclo[4.3.0]non-3-en-5-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 126572930
N-[3-[(3R)-5-amino-3-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 72548199
N-[3-(6-acetyl-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-pyrrolo[3,4-e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 78077554
N-[3-(3-amino-7,7-difluoro-1,1-dihydroxy-2-methyl-5,6,8,8a-tetrahydro-1λ4,2,4-benzothiadiazin-4a-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 137355689

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-amino-2-(difluoromethyl)-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[3-[4-amino-2-(difluoromethyl)-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide (CID 121353289) is N-[3-[4-amino-2-(difluoromethyl)-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[3-[4-amino-2-(difluoromethyl)-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[3-[4-amino-2-(difluoromethyl)-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide is CC1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)Cn2nc(C(F)F)cc2C(N)=N1.
What is the InChIKey of N-[3-[4-amino-2-(difluoromethyl)-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is OEZZFXJTIVWPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N6O/c1-20(9-30-16(18(25)28-20)7-15(29-30)17(23)24)12-6-11(3-4-13(12)22)27-19(31)14-5-2-10(21)8-26-14/h2-8,17H,9H2,1H3,(H2,25,28)(H,27,31).
What are the key properties of N-[3-[4-amino-2-(difluoromethyl)-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
N-[3-[4-amino-2-(difluoromethyl)-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 432.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-amino-2-(difluoromethyl)-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 121353289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).