6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-methoxypyridin-2-amine

C26H23FN8O — CID 177368149

IUPAC6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-methoxypyridin-2-amine
SMILESCOc1ccc(N)nc1-c1cnn(-c2cc(-c3ccc(F)cc3-c3nncn3C)cc(C3CC3)n2)c1
InChIInChI=1S/C26H23FN8O/c1-34-14-29-33-26(34)20-11-18(27)5-6-19(20)16-9-21(15-3-4-15)31-24(10-16)35-13-17(12-30-35)25-22(36-2)7-8-23(28)32-25/h5-15H,3-4H2,1-2H3,(H2,28,32)
InChIKeyVMBXNPOZGAAQIV-UHFFFAOYSA-N
MW482.52 g/mol
LogP4.40
Rot. Bonds6

About 6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-methoxypyridin-2-amine

6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-methoxypyridin-2-amine (PubChem CID 177368149) has the molecular formula C26H23FN8O and a molecular weight of 482.52 g/mol. Its IUPAC name is 6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-methoxypyridin-2-amine.

Molecular Properties

Compound Name6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-methoxypyridin-2-amine
PubChem CID177368149
Molecular FormulaC26H23FN8O
Molecular Weight482.52 g/mol
Exact Mass482.20
IUPAC Name6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-methoxypyridin-2-amine
SMILESCOc1ccc(N)nc1-c1cnn(-c2cc(-c3ccc(F)cc3-c3nncn3C)cc(C3CC3)n2)c1
InChIInChI=1S/C26H23FN8O/c1-34-14-29-33-26(34)20-11-18(27)5-6-19(20)16-9-21(15-3-4-15)31-24(10-16)35-13-17(12-30-35)25-22(36-2)7-8-23(28)32-25/h5-15H,3-4H2,1-2H3,(H2,28,32)
InChIKeyVMBXNPOZGAAQIV-UHFFFAOYSA-N
XLogP4.40
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-methoxypyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanamine
CID 177367967
1-cyclobutyl-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
CID 177367935
N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-2-pyridinyl]methyl]propan-2-amine;molecular hydrogen
CID 177368133
cis-(1S,2R)-2-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclopentan-1-ol
CID 177367877
2-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-4-fluoro-6-(hydroxymethyl)-3H-isoindol-1-one
CID 165411412
2-cyclopropyl-5-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-7-(trifluoromethyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-4-one
CID 172608907
2-[6-cyclopropyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-5-methoxy-3H-isoindol-1-one
CID 165410623
2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine
CID 172608605
2-[(2S)-1-acetylpyrrolidin-2-yl]-5-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-7-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-4-one
CID 172608695
[2-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol
CID 166557321
2-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-4-fluoro-6-[[(1-hydroxycyclobutyl)methylamino]methyl]-3H-isoindol-1-one
CID 165410638
2-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxymethyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 165411384

Frequently Asked Questions

What is the IUPAC name of 6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-methoxypyridin-2-amine?
The IUPAC name of 6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-methoxypyridin-2-amine (CID 177368149) is 6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-methoxypyridin-2-amine.
What is the SMILES notation for 6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-methoxypyridin-2-amine?
The canonical SMILES for 6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-methoxypyridin-2-amine is COc1ccc(N)nc1-c1cnn(-c2cc(-c3ccc(F)cc3-c3nncn3C)cc(C3CC3)n2)c1.
What is the InChIKey of 6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-methoxypyridin-2-amine?
The InChIKey is VMBXNPOZGAAQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN8O/c1-34-14-29-33-26(34)20-11-18(27)5-6-19(20)16-9-21(15-3-4-15)31-24(10-16)35-13-17(12-30-35)25-22(36-2)7-8-23(28)32-25/h5-15H,3-4H2,1-2H3,(H2,28,32).
What are the key properties of 6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-methoxypyridin-2-amine?
6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-methoxypyridin-2-amine has a molecular weight of 482.52 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-methoxypyridin-2-amine is sourced from PubChem (CID 177368149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).