[4-[methyl-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]amino]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone

C24H24F3N7O2 — CID 87057409

IUPAC[4-[methyl-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]amino]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
SMILESCc1nc(C(=O)N2CCC(N(C)c3nnc(-c4ccnn4C)c4ccccc34)CC2)c(C(F)(F)F)o1
InChIInChI=1S/C24H24F3N7O2/c1-14-29-20(21(36-14)24(25,26)27)23(35)34-12-9-15(10-13-34)32(2)22-17-7-5-4-6-16(17)19(30-31-22)18-8-11-28-33(18)3/h4-8,11,15H,9-10,12-13H2,1-3H3
InChIKeyAMOSBDBZUZYIHL-UHFFFAOYSA-N
MW499.50 g/mol
LogP4.09
Rot. Bonds4

About [4-[methyl-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]amino]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone

[4-[methyl-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]amino]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone (PubChem CID 87057409) has the molecular formula C24H24F3N7O2 and a molecular weight of 499.50 g/mol. Its IUPAC name is [4-[methyl-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]amino]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[4-[methyl-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]amino]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
PubChem CID87057409
Molecular FormulaC24H24F3N7O2
Molecular Weight499.50 g/mol
Exact Mass499.19
IUPAC Name[4-[methyl-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]amino]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
SMILESCc1nc(C(=O)N2CCC(N(C)c3nnc(-c4ccnn4C)c4ccccc34)CC2)c(C(F)(F)F)o1
InChIInChI=1S/C24H24F3N7O2/c1-14-29-20(21(36-14)24(25,26)27)23(35)34-12-9-15(10-13-34)32(2)22-17-7-5-4-6-16(17)19(30-31-22)18-8-11-28-33(18)3/h4-8,11,15H,9-10,12-13H2,1-3H3
InChIKeyAMOSBDBZUZYIHL-UHFFFAOYSA-N
XLogP4.09
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.50
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-[methyl-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]amino]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone with MolForge

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Related Compounds

2,2-dimethyl-1-[4-[methyl-[4-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-1-yl]amino]piperidin-1-yl]propan-1-one
CID 123736751
4-(difluoromethoxy)-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide
CID 59627413
2-fluoro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 68780122
6-fluoro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 129188615
2-cyano-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide
CID 59627396
3,5-dichloro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide
CID 59627390
N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]piperidin-4-amine
CID 121298930
3-(2,4-difluorophenyl)-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea
CID 86344034
1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine
CID 59627409
isoquinolin-1-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889202
N-cyclopropyl-2-methyl-N-[1-(4-phenylphenyl)ethyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 44816581
[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 92566218

Frequently Asked Questions

What is the IUPAC name of [4-[methyl-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]amino]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of [4-[methyl-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]amino]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone (CID 87057409) is [4-[methyl-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]amino]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [4-[methyl-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]amino]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [4-[methyl-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]amino]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone is Cc1nc(C(=O)N2CCC(N(C)c3nnc(-c4ccnn4C)c4ccccc34)CC2)c(C(F)(F)F)o1.
What is the InChIKey of [4-[methyl-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]amino]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
The InChIKey is AMOSBDBZUZYIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O2/c1-14-29-20(21(36-14)24(25,26)27)23(35)34-12-9-15(10-13-34)32(2)22-17-7-5-4-6-16(17)19(30-31-22)18-8-11-28-33(18)3/h4-8,11,15H,9-10,12-13H2,1-3H3.
What are the key properties of [4-[methyl-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]amino]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
[4-[methyl-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]amino]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone has a molecular weight of 499.50 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]amino]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 87057409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).