3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1S,2R)-2-hydroxycyclopentyl]indazole-6-carboxamide

C25H21ClFN3O2 — CID 146220196

IUPAC3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1S,2R)-2-hydroxycyclopentyl]indazole-6-carboxamide
SMILESO=C(N[C@H]1CCC[C@H]1O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C25H21ClFN3O2/c26-20-5-2-1-4-18(20)24-19-13-8-15(25(32)28-21-6-3-7-23(21)31)14-22(19)30(29-24)17-11-9-16(27)10-12-17/h1-2,4-5,8-14,21,23,31H,3,6-7H2,(H,28,32)/t21-,23+/m0/s1
InChIKeyDQZNKQWAVMGUIN-JTHBVZDNSA-N
MW449.91 g/mol
LogP5.13
Rot. Bonds4

About 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1S,2R)-2-hydroxycyclopentyl]indazole-6-carboxamide

3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1S,2R)-2-hydroxycyclopentyl]indazole-6-carboxamide (PubChem CID 146220196) has the molecular formula C25H21ClFN3O2 and a molecular weight of 449.91 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1S,2R)-2-hydroxycyclopentyl]indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1S,2R)-2-hydroxycyclopentyl]indazole-6-carboxamide
PubChem CID146220196
Molecular FormulaC25H21ClFN3O2
Molecular Weight449.91 g/mol
Exact Mass449.13
IUPAC Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1S,2R)-2-hydroxycyclopentyl]indazole-6-carboxamide
SMILESO=C(N[C@H]1CCC[C@H]1O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C25H21ClFN3O2/c26-20-5-2-1-4-18(20)24-19-13-8-15(25(32)28-21-6-3-7-23(21)31)14-22(19)30(29-24)17-11-9-16(27)10-12-17/h1-2,4-5,8-14,21,23,31H,3,6-7H2,(H,28,32)/t21-,23+/m0/s1
InChIKeyDQZNKQWAVMGUIN-JTHBVZDNSA-N
XLogP5.13
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.91
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1S,2R)-2-hydroxycyclopentyl]indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1S,2R)-2-hydroxycyclopentyl]indazole-6-carboxamide (CID 146220196) is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1S,2R)-2-hydroxycyclopentyl]indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1S,2R)-2-hydroxycyclopentyl]indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1S,2R)-2-hydroxycyclopentyl]indazole-6-carboxamide is O=C(N[C@H]1CCC[C@H]1O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1S,2R)-2-hydroxycyclopentyl]indazole-6-carboxamide?
The InChIKey is DQZNKQWAVMGUIN-JTHBVZDNSA-N. The full InChI is InChI=1S/C25H21ClFN3O2/c26-20-5-2-1-4-18(20)24-19-13-8-15(25(32)28-21-6-3-7-23(21)31)14-22(19)30(29-24)17-11-9-16(27)10-12-17/h1-2,4-5,8-14,21,23,31H,3,6-7H2,(H,28,32)/t21-,23+/m0/s1.
What are the key properties of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1S,2R)-2-hydroxycyclopentyl]indazole-6-carboxamide?
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1S,2R)-2-hydroxycyclopentyl]indazole-6-carboxamide has a molecular weight of 449.91 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1S,2R)-2-hydroxycyclopentyl]indazole-6-carboxamide is sourced from PubChem (CID 146220196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).