5-[4-(3-ethyl-2-methoxy-5-methyl-4-pyridinyl)-2-fluorophenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide

C23H25FN4O3 — CID 89494978

IUPAC5-[4-(3-ethyl-2-methoxy-5-methyl-4-pyridinyl)-2-fluorophenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
SMILESCCc1c(OC)ncc(C)c1-c1ccc(-c2c(C(N)=O)cnn2[C@H]2CCOC2)c(F)c1
InChIInChI=1S/C23H25FN4O3/c1-4-16-20(13(2)10-26-23(16)30-3)14-5-6-17(19(24)9-14)21-18(22(25)29)11-27-28(21)15-7-8-31-12-15/h5-6,9-11,15H,4,7-8,12H2,1-3H3,(H2,25,29)/t15-/m0/s1
InChIKeyBPCVAJRGKABDDU-HNNXBMFYSA-N
MW424.48 g/mol
LogP3.69
Rot. Bonds6

About 5-[4-(3-ethyl-2-methoxy-5-methyl-4-pyridinyl)-2-fluorophenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide

5-[4-(3-ethyl-2-methoxy-5-methyl-4-pyridinyl)-2-fluorophenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide (PubChem CID 89494978) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 5-[4-(3-ethyl-2-methoxy-5-methyl-4-pyridinyl)-2-fluorophenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-(3-ethyl-2-methoxy-5-methyl-4-pyridinyl)-2-fluorophenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
PubChem CID89494978
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name5-[4-(3-ethyl-2-methoxy-5-methyl-4-pyridinyl)-2-fluorophenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
SMILESCCc1c(OC)ncc(C)c1-c1ccc(-c2c(C(N)=O)cnn2[C@H]2CCOC2)c(F)c1
InChIInChI=1S/C23H25FN4O3/c1-4-16-20(13(2)10-26-23(16)30-3)14-5-6-17(19(24)9-14)21-18(22(25)29)11-27-28(21)15-7-8-31-12-15/h5-6,9-11,15H,4,7-8,12H2,1-3H3,(H2,25,29)/t15-/m0/s1
InChIKeyBPCVAJRGKABDDU-HNNXBMFYSA-N
XLogP3.69
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-ethyl-2-methoxy-5-methyl-4-pyridinyl)-2-fluorophenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-[4-(3-ethyl-2-methoxy-5-methyl-4-pyridinyl)-2-fluorophenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide (CID 89494978) is 5-[4-(3-ethyl-2-methoxy-5-methyl-4-pyridinyl)-2-fluorophenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-[4-(3-ethyl-2-methoxy-5-methyl-4-pyridinyl)-2-fluorophenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-[4-(3-ethyl-2-methoxy-5-methyl-4-pyridinyl)-2-fluorophenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide is CCc1c(OC)ncc(C)c1-c1ccc(-c2c(C(N)=O)cnn2[C@H]2CCOC2)c(F)c1.
What is the InChIKey of 5-[4-(3-ethyl-2-methoxy-5-methyl-4-pyridinyl)-2-fluorophenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
The InChIKey is BPCVAJRGKABDDU-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-4-16-20(13(2)10-26-23(16)30-3)14-5-6-17(19(24)9-14)21-18(22(25)29)11-27-28(21)15-7-8-31-12-15/h5-6,9-11,15H,4,7-8,12H2,1-3H3,(H2,25,29)/t15-/m0/s1.
What are the key properties of 5-[4-(3-ethyl-2-methoxy-5-methyl-4-pyridinyl)-2-fluorophenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
5-[4-(3-ethyl-2-methoxy-5-methyl-4-pyridinyl)-2-fluorophenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-ethyl-2-methoxy-5-methyl-4-pyridinyl)-2-fluorophenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 89494978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).