(2R,4R)-6-chloro-4-hydroxy-N-[3-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide

C24H20ClF3N4O3 — CID 155254587

IUPAC(2R,4R)-6-chloro-4-hydroxy-N-[3-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NC12CC(c3cnn(-c4ccc(C(F)(F)F)nc4)c3)(C1)C2)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1
InChIInChI=1S/C24H20ClF3N4O3/c25-14-1-3-18-16(5-14)17(33)6-19(35-18)21(34)31-23-10-22(11-23,12-23)13-7-30-32(9-13)15-2-4-20(29-8-15)24(26,27)28/h1-5,7-9,17,19,33H,6,10-12H2,(H,31,34)/t17-,19-,22?,23?/m1/s1
InChIKeyCAJLJHOMGWGHBK-POEPRGHXSA-N
MW504.90 g/mol
LogP4.11
Rot. Bonds4

About (2R,4R)-6-chloro-4-hydroxy-N-[3-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide

(2R,4R)-6-chloro-4-hydroxy-N-[3-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 155254587) has the molecular formula C24H20ClF3N4O3 and a molecular weight of 504.90 g/mol. Its IUPAC name is (2R,4R)-6-chloro-4-hydroxy-N-[3-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-6-chloro-4-hydroxy-N-[3-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID155254587
Molecular FormulaC24H20ClF3N4O3
Molecular Weight504.90 g/mol
Exact Mass504.12
IUPAC Name(2R,4R)-6-chloro-4-hydroxy-N-[3-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NC12CC(c3cnn(-c4ccc(C(F)(F)F)nc4)c3)(C1)C2)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1
InChIInChI=1S/C24H20ClF3N4O3/c25-14-1-3-18-16(5-14)17(33)6-19(35-18)21(34)31-23-10-22(11-23,12-23)13-7-30-32(9-13)15-2-4-20(29-8-15)24(26,27)28/h1-5,7-9,17,19,33H,6,10-12H2,(H,31,34)/t17-,19-,22?,23?/m1/s1
InChIKeyCAJLJHOMGWGHBK-POEPRGHXSA-N
XLogP4.11
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.90
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,4R)-6-chloro-4-hydroxy-N-[3-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-6-chloro-4-hydroxy-N-[3-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of (2R,4R)-6-chloro-4-hydroxy-N-[3-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 155254587) is (2R,4R)-6-chloro-4-hydroxy-N-[3-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for (2R,4R)-6-chloro-4-hydroxy-N-[3-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for (2R,4R)-6-chloro-4-hydroxy-N-[3-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NC12CC(c3cnn(-c4ccc(C(F)(F)F)nc4)c3)(C1)C2)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1.
What is the InChIKey of (2R,4R)-6-chloro-4-hydroxy-N-[3-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is CAJLJHOMGWGHBK-POEPRGHXSA-N. The full InChI is InChI=1S/C24H20ClF3N4O3/c25-14-1-3-18-16(5-14)17(33)6-19(35-18)21(34)31-23-10-22(11-23,12-23)13-7-30-32(9-13)15-2-4-20(29-8-15)24(26,27)28/h1-5,7-9,17,19,33H,6,10-12H2,(H,31,34)/t17-,19-,22?,23?/m1/s1.
What are the key properties of (2R,4R)-6-chloro-4-hydroxy-N-[3-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
(2R,4R)-6-chloro-4-hydroxy-N-[3-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 504.90 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-6-chloro-4-hydroxy-N-[3-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 155254587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).