[(2S)-1-[4-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate

C24H27F3N4O3 — CID 175158828

IUPAC[(2S)-1-[4-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate
SMILESCC(C)C[C@@](C)(COc1ccc(-c2ccnc3cc(C4CC4)nn23)cc1C(F)(F)F)OC(N)=O
InChIInChI=1S/C24H27F3N4O3/c1-14(2)12-23(3,34-22(28)32)13-33-20-7-6-16(10-17(20)24(25,26)27)19-8-9-29-21-11-18(15-4-5-15)30-31(19)21/h6-11,14-15H,4-5,12-13H2,1-3H3,(H2,28,32)/t23-/m0/s1
InChIKeyASHMUAYKCMQJOK-QHCPKHFHSA-N
MW476.50 g/mol
LogP5.57
Rot. Bonds8

About [(2S)-1-[4-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate

[(2S)-1-[4-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate (PubChem CID 175158828) has the molecular formula C24H27F3N4O3 and a molecular weight of 476.50 g/mol. Its IUPAC name is [(2S)-1-[4-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S)-1-[4-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate
PubChem CID175158828
Molecular FormulaC24H27F3N4O3
Molecular Weight476.50 g/mol
Exact Mass476.20
IUPAC Name[(2S)-1-[4-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate
SMILESCC(C)C[C@@](C)(COc1ccc(-c2ccnc3cc(C4CC4)nn23)cc1C(F)(F)F)OC(N)=O
InChIInChI=1S/C24H27F3N4O3/c1-14(2)12-23(3,34-22(28)32)13-33-20-7-6-16(10-17(20)24(25,26)27)19-8-9-29-21-11-18(15-4-5-15)30-31(19)21/h6-11,14-15H,4-5,12-13H2,1-3H3,(H2,28,32)/t23-/m0/s1
InChIKeyASHMUAYKCMQJOK-QHCPKHFHSA-N
XLogP5.57
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.50
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[4-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate?
The IUPAC name of [(2S)-1-[4-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate (CID 175158828) is [(2S)-1-[4-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate.
What is the SMILES notation for [(2S)-1-[4-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate?
The canonical SMILES for [(2S)-1-[4-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate is CC(C)C[C@@](C)(COc1ccc(-c2ccnc3cc(C4CC4)nn23)cc1C(F)(F)F)OC(N)=O.
What is the InChIKey of [(2S)-1-[4-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate?
The InChIKey is ASHMUAYKCMQJOK-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H27F3N4O3/c1-14(2)12-23(3,34-22(28)32)13-33-20-7-6-16(10-17(20)24(25,26)27)19-8-9-29-21-11-18(15-4-5-15)30-31(19)21/h6-11,14-15H,4-5,12-13H2,1-3H3,(H2,28,32)/t23-/m0/s1.
What are the key properties of [(2S)-1-[4-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate?
[(2S)-1-[4-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate has a molecular weight of 476.50 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate is sourced from PubChem (CID 175158828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).