4-(3,4-difluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C22H21F2N7O — CID 134415313

IUPAC4-(3,4-difluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cc(Nc2nc3n(n2)CCCN3c2ccc(F)c(F)c2)ccc1-c1cnn(C)c1
InChIInChI=1S/C22H21F2N7O/c1-29-13-14(12-25-29)17-6-4-15(10-20(17)32-2)26-21-27-22-30(8-3-9-31(22)28-21)16-5-7-18(23)19(24)11-16/h4-7,10-13H,3,8-9H2,1-2H3,(H,26,28)
InChIKeyODAZELFUAIMYAE-UHFFFAOYSA-N
MW437.45 g/mol
LogP4.25
Rot. Bonds5

About 4-(3,4-difluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

4-(3,4-difluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 134415313) has the molecular formula C22H21F2N7O and a molecular weight of 437.45 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID134415313
Molecular FormulaC22H21F2N7O
Molecular Weight437.45 g/mol
Exact Mass437.18
IUPAC Name4-(3,4-difluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cc(Nc2nc3n(n2)CCCN3c2ccc(F)c(F)c2)ccc1-c1cnn(C)c1
InChIInChI=1S/C22H21F2N7O/c1-29-13-14(12-25-29)17-6-4-15(10-20(17)32-2)26-21-27-22-30(8-3-9-31(22)28-21)16-5-7-18(23)19(24)11-16/h4-7,10-13H,3,8-9H2,1-2H3,(H,26,28)
InChIKeyODAZELFUAIMYAE-UHFFFAOYSA-N
XLogP4.25
TPSA73.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(3,4-difluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine with MolForge

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Related Compounds

N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 134415348
N-[4-(4-chloroimidazol-1-yl)-3-fluorophenyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 134415360
4-amino-2-chloro-6-[3-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile
CID 89105584
(9S)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-9-(3,4-difluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine
CID 46864536
5-chloro-2-N-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-4-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
CID 162732542
8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67325259
(E)-N-(4-fluoro-3-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568611
2-bromo-4-(3,4-difluorophenyl)-5,6-dihydroimidazo[1,2-b][1,2,4]triazole
CID 134400664
9-(4-fluorophenyl)-N-[3-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine
CID 46864320
2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 91334398
4-(3,4-difluorophenyl)-2-[[4-(4-methyltriazol-1-yl)phenyl]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 160847962
2-methoxy-4-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine
CID 79770557

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 4-(3,4-difluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 134415313) is 4-(3,4-difluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 4-(3,4-difluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COc1cc(Nc2nc3n(n2)CCCN3c2ccc(F)c(F)c2)ccc1-c1cnn(C)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is ODAZELFUAIMYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7O/c1-29-13-14(12-25-29)17-6-4-15(10-20(17)32-2)26-21-27-22-30(8-3-9-31(22)28-21)16-5-7-18(23)19(24)11-16/h4-7,10-13H,3,8-9H2,1-2H3,(H,26,28).
What are the key properties of 4-(3,4-difluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
4-(3,4-difluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 437.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 134415313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).