2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol

C26H30FN7O — CID 134440101

IUPAC2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
SMILESCc1nn(-c2cc(Nc3c(C)c(-c4ccc(F)cc4)nn3CC3CC3)ncn2)c(C)c1C(C)(C)O
InChIInChI=1S/C26H30FN7O/c1-15-24(19-8-10-20(27)11-9-19)32-33(13-18-6-7-18)25(15)30-21-12-22(29-14-28-21)34-17(3)23(16(2)31-34)26(4,5)35/h8-12,14,18,35H,6-7,13H2,1-5H3,(H,28,29,30)
InChIKeyDCXBCFPPZRBXJE-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.97
Rot. Bonds7

About 2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol

2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol (PubChem CID 134440101) has the molecular formula C26H30FN7O and a molecular weight of 475.57 g/mol. Its IUPAC name is 2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
PubChem CID134440101
Molecular FormulaC26H30FN7O
Molecular Weight475.57 g/mol
Exact Mass475.25
IUPAC Name2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
SMILESCc1nn(-c2cc(Nc3c(C)c(-c4ccc(F)cc4)nn3CC3CC3)ncn2)c(C)c1C(C)(C)O
InChIInChI=1S/C26H30FN7O/c1-15-24(19-8-10-20(27)11-9-19)32-33(13-18-6-7-18)25(15)30-21-12-22(29-14-28-21)34-17(3)23(16(2)31-34)26(4,5)35/h8-12,14,18,35H,6-7,13H2,1-5H3,(H,28,29,30)
InChIKeyDCXBCFPPZRBXJE-UHFFFAOYSA-N
XLogP4.97
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)phenyl)-4-(4-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 54580647
1-[1-[6-[[2-(Cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-2,2,2-trifluoroethanol
CID 134439832
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]pyrimidin-4-amine
CID 134439940
6-(3,5-dimethylpyrazol-1-yl)-N-[4-ethyl-3-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-5-yl]pyrimidin-4-amine
CID 134439943
N-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 134439955
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(4-fluorophenyl)-1,4-dimethylpyrazol-5-yl]pyrimidin-4-amine
CID 134439966
[1-[6-[[4-Ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]methanol
CID 134439968
N-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3-methylindazol-1-yl)pyrimidin-4-amine
CID 134439987
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine
CID 134439992
N-[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 134439994
N-[1-cyclopropyl-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 134439995
N-[2-(cyclopropylmethyl)-5-[4-(difluoromethyl)phenyl]-4-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 134440001

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol (CID 134440101) is 2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol is Cc1nn(-c2cc(Nc3c(C)c(-c4ccc(F)cc4)nn3CC3CC3)ncn2)c(C)c1C(C)(C)O.
What is the InChIKey of 2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?
The InChIKey is DCXBCFPPZRBXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O/c1-15-24(19-8-10-20(27)11-9-19)32-33(13-18-6-7-18)25(15)30-21-12-22(29-14-28-21)34-17(3)23(16(2)31-34)26(4,5)35/h8-12,14,18,35H,6-7,13H2,1-5H3,(H,28,29,30).
What are the key properties of 2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?
2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol has a molecular weight of 475.57 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol is sourced from PubChem (CID 134440101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).