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

C25H27ClFN7O — CID 134440815

IUPAC2-[1-[6-[[4-chloro-1-(cyclopropylmethyl)-5-(4-fluorophenyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
SMILESCc1nn(-c2cc(Nc3nn(CC4CC4)c(-c4ccc(F)cc4)c3Cl)ncn2)c(C)c1C(C)(C)O
InChIInChI=1S/C25H27ClFN7O/c1-14-21(25(3,4)35)15(2)34(31-14)20-11-19(28-13-29-20)30-24-22(26)23(17-7-9-18(27)10-8-17)33(32-24)12-16-5-6-16/h7-11,13,16,35H,5-6,12H2,1-4H3,(H,28,29,30,32)
InChIKeyBRJYZQKBPYRCLZ-UHFFFAOYSA-N
MW495.99 g/mol
LogP5.32
Rot. Bonds7

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

2-[1-[6-[[4-chloro-1-(cyclopropylmethyl)-5-(4-fluorophenyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol (PubChem CID 134440815) has the molecular formula C25H27ClFN7O and a molecular weight of 495.99 g/mol. Its IUPAC name is 2-[1-[6-[[4-chloro-1-(cyclopropylmethyl)-5-(4-fluorophenyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[6-[[4-chloro-1-(cyclopropylmethyl)-5-(4-fluorophenyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
PubChem CID134440815
Molecular FormulaC25H27ClFN7O
Molecular Weight495.99 g/mol
Exact Mass495.19
IUPAC Name2-[1-[6-[[4-chloro-1-(cyclopropylmethyl)-5-(4-fluorophenyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
SMILESCc1nn(-c2cc(Nc3nn(CC4CC4)c(-c4ccc(F)cc4)c3Cl)ncn2)c(C)c1C(C)(C)O
InChIInChI=1S/C25H27ClFN7O/c1-14-21(25(3,4)35)15(2)34(31-14)20-11-19(28-13-29-20)30-24-22(26)23(17-7-9-18(27)10-8-17)33(32-24)12-16-5-6-16/h7-11,13,16,35H,5-6,12H2,1-4H3,(H,28,29,30,32)
InChIKeyBRJYZQKBPYRCLZ-UHFFFAOYSA-N
XLogP5.32
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.99
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[1-[6-[[4-chloro-1-(cyclopropylmethyl)-5-(4-fluorophenyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol with MolForge

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Related Compounds

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
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-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 134439986
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
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]pyrimidin-4-amine
CID 134440002
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]pyrimidin-4-amine
CID 134440006
1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,4-dimethyl-6,7-dihydro-5H-indazol-4-ol
CID 134440013

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-[[4-chloro-1-(cyclopropylmethyl)-5-(4-fluorophenyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[6-[[4-chloro-1-(cyclopropylmethyl)-5-(4-fluorophenyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol (CID 134440815) is 2-[1-[6-[[4-chloro-1-(cyclopropylmethyl)-5-(4-fluorophenyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[6-[[4-chloro-1-(cyclopropylmethyl)-5-(4-fluorophenyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[6-[[4-chloro-1-(cyclopropylmethyl)-5-(4-fluorophenyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol is Cc1nn(-c2cc(Nc3nn(CC4CC4)c(-c4ccc(F)cc4)c3Cl)ncn2)c(C)c1C(C)(C)O.
What is the InChIKey of 2-[1-[6-[[4-chloro-1-(cyclopropylmethyl)-5-(4-fluorophenyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?
The InChIKey is BRJYZQKBPYRCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClFN7O/c1-14-21(25(3,4)35)15(2)34(31-14)20-11-19(28-13-29-20)30-24-22(26)23(17-7-9-18(27)10-8-17)33(32-24)12-16-5-6-16/h7-11,13,16,35H,5-6,12H2,1-4H3,(H,28,29,30,32).
What are the key properties of 2-[1-[6-[[4-chloro-1-(cyclopropylmethyl)-5-(4-fluorophenyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?
2-[1-[6-[[4-chloro-1-(cyclopropylmethyl)-5-(4-fluorophenyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol has a molecular weight of 495.99 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-[[4-chloro-1-(cyclopropylmethyl)-5-(4-fluorophenyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol is sourced from PubChem (CID 134440815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).