[4-[1-[(4-chloro-2-fluorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone

C25H26ClFN4O — CID 71582550

IUPAC[4-[1-[(4-chloro-2-fluorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone
SMILESO=C(C1CCCCN1)N1CC=C(c2ccc3cnn(Cc4ccc(Cl)cc4F)c3c2)CC1
InChIInChI=1S/C25H26ClFN4O/c26-21-7-6-20(22(27)14-21)16-31-24-13-18(4-5-19(24)15-29-31)17-8-11-30(12-9-17)25(32)23-3-1-2-10-28-23/h4-8,13-15,23,28H,1-3,9-12,16H2
InChIKeyRKWHUXRCMWSDME-UHFFFAOYSA-N
MW452.96 g/mol
LogP4.63
Rot. Bonds4

About [4-[1-[(4-chloro-2-fluorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone

[4-[1-[(4-chloro-2-fluorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone (PubChem CID 71582550) has the molecular formula C25H26ClFN4O and a molecular weight of 452.96 g/mol. Its IUPAC name is [4-[1-[(4-chloro-2-fluorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone.

Molecular Properties

Compound Name[4-[1-[(4-chloro-2-fluorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone
PubChem CID71582550
Molecular FormulaC25H26ClFN4O
Molecular Weight452.96 g/mol
Exact Mass452.18
IUPAC Name[4-[1-[(4-chloro-2-fluorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone
SMILESO=C(C1CCCCN1)N1CC=C(c2ccc3cnn(Cc4ccc(Cl)cc4F)c3c2)CC1
InChIInChI=1S/C25H26ClFN4O/c26-21-7-6-20(22(27)14-21)16-31-24-13-18(4-5-19(24)15-29-31)17-8-11-30(12-9-17)25(32)23-3-1-2-10-28-23/h4-8,13-15,23,28H,1-3,9-12,16H2
InChIKeyRKWHUXRCMWSDME-UHFFFAOYSA-N
XLogP4.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.96
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-2-yl-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 149056884
4-[1-[(2,4-dichlorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
CID 130444893
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-2-ylmethanone
CID 60715502
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61163331
[4-[3-[(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-2-ylmethanone
CID 134490866
tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 155090480
[4-[3-[1-(2,4-dichlorophenyl)ethyl]-6-fluorobenzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone
CID 78121024
[4-[3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-fluorobenzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 71582608
[4-[3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 71581672
azepan-2-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489887
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 119838937
[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 59003075

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(4-chloro-2-fluorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone?
The IUPAC name of [4-[1-[(4-chloro-2-fluorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone (CID 71582550) is [4-[1-[(4-chloro-2-fluorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone.
What is the SMILES notation for [4-[1-[(4-chloro-2-fluorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone?
The canonical SMILES for [4-[1-[(4-chloro-2-fluorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone is O=C(C1CCCCN1)N1CC=C(c2ccc3cnn(Cc4ccc(Cl)cc4F)c3c2)CC1.
What is the InChIKey of [4-[1-[(4-chloro-2-fluorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone?
The InChIKey is RKWHUXRCMWSDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN4O/c26-21-7-6-20(22(27)14-21)16-31-24-13-18(4-5-19(24)15-29-31)17-8-11-30(12-9-17)25(32)23-3-1-2-10-28-23/h4-8,13-15,23,28H,1-3,9-12,16H2.
What are the key properties of [4-[1-[(4-chloro-2-fluorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone?
[4-[1-[(4-chloro-2-fluorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone has a molecular weight of 452.96 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(4-chloro-2-fluorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone is sourced from PubChem (CID 71582550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).