N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-ethylpyrazole-3-carboxamide

C25H30F3N7O2 — CID 162362346

IUPACN-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC(C(=O)Nc1ccc(-c2c(C)cnn2C)cn1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C25H30F3N7O2/c1-4-35-19(11-12-30-35)23(36)33-21(16-5-8-18(9-6-16)25(26,27)28)24(37)32-20-10-7-17(14-29-20)22-15(2)13-31-34(22)3/h7,10-14,16,18,21H,4-6,8-9H2,1-3H3,(H,33,36)(H,29,32,37)
InChIKeyBPXZOOCRJKXDOH-UHFFFAOYSA-N
MW517.56 g/mol
LogP4.11
Rot. Bonds7

About N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-ethylpyrazole-3-carboxamide

N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 162362346) has the molecular formula C25H30F3N7O2 and a molecular weight of 517.56 g/mol. Its IUPAC name is N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-ethylpyrazole-3-carboxamide
PubChem CID162362346
Molecular FormulaC25H30F3N7O2
Molecular Weight517.56 g/mol
Exact Mass517.24
IUPAC NameN-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC(C(=O)Nc1ccc(-c2c(C)cnn2C)cn1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C25H30F3N7O2/c1-4-35-19(11-12-30-35)23(36)33-21(16-5-8-18(9-6-16)25(26,27)28)24(37)32-20-10-7-17(14-29-20)22-15(2)13-31-34(22)3/h7,10-14,16,18,21H,4-6,8-9H2,1-3H3,(H,33,36)(H,29,32,37)
InChIKeyBPXZOOCRJKXDOH-UHFFFAOYSA-N
XLogP4.11
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.56
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-ethylpyrazole-3-carboxamide (CID 162362346) is N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)NC(C(=O)Nc1ccc(-c2c(C)cnn2C)cn1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is BPXZOOCRJKXDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N7O2/c1-4-35-19(11-12-30-35)23(36)33-21(16-5-8-18(9-6-16)25(26,27)28)24(37)32-20-10-7-17(14-29-20)22-15(2)13-31-34(22)3/h7,10-14,16,18,21H,4-6,8-9H2,1-3H3,(H,33,36)(H,29,32,37).
What are the key properties of N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-ethylpyrazole-3-carboxamide?
N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 517.56 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 162362346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).