6-(1-ethylpyrazol-4-yl)-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide

C24H27F3N6O2 — CID 165129829

IUPAC6-(1-ethylpyrazol-4-yl)-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCCn1cc(-c2cccc(C(=O)Nc3cc(N4CC[C@@H](C(C)(C)O)C4)cnc3C(F)(F)F)n2)cn1
InChIInChI=1S/C24H27F3N6O2/c1-4-33-13-15(11-29-33)18-6-5-7-19(30-18)22(34)31-20-10-17(12-28-21(20)24(25,26)27)32-9-8-16(14-32)23(2,3)35/h5-7,10-13,16,35H,4,8-9,14H2,1-3H3,(H,31,34)/t16-/m1/s1
InChIKeyONZFJXAFBPQUIU-MRXNPFEDSA-N
MW488.51 g/mol
LogP4.23
Rot. Bonds6

About 6-(1-ethylpyrazol-4-yl)-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide

6-(1-ethylpyrazol-4-yl)-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 165129829) has the molecular formula C24H27F3N6O2 and a molecular weight of 488.51 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID165129829
Molecular FormulaC24H27F3N6O2
Molecular Weight488.51 g/mol
Exact Mass488.21
IUPAC Name6-(1-ethylpyrazol-4-yl)-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCCn1cc(-c2cccc(C(=O)Nc3cc(N4CC[C@@H](C(C)(C)O)C4)cnc3C(F)(F)F)n2)cn1
InChIInChI=1S/C24H27F3N6O2/c1-4-33-13-15(11-29-33)18-6-5-7-19(30-18)22(34)31-20-10-17(12-28-21(20)24(25,26)27)32-9-8-16(14-32)23(2,3)35/h5-7,10-13,16,35H,4,8-9,14H2,1-3H3,(H,31,34)/t16-/m1/s1
InChIKeyONZFJXAFBPQUIU-MRXNPFEDSA-N
XLogP4.23
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide (CID 165129829) is 6-(1-ethylpyrazol-4-yl)-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide is CCn1cc(-c2cccc(C(=O)Nc3cc(N4CC[C@@H](C(C)(C)O)C4)cnc3C(F)(F)F)n2)cn1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is ONZFJXAFBPQUIU-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27F3N6O2/c1-4-33-13-15(11-29-33)18-6-5-7-19(30-18)22(34)31-20-10-17(12-28-21(20)24(25,26)27)32-9-8-16(14-32)23(2,3)35/h5-7,10-13,16,35H,4,8-9,14H2,1-3H3,(H,31,34)/t16-/m1/s1.
What are the key properties of 6-(1-ethylpyrazol-4-yl)-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
6-(1-ethylpyrazol-4-yl)-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 488.51 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 165129829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).