1-[[1-(4-chlorophenyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-ethylamino]pentan-2-ol

C27H34ClFN4O — CID 42872684

IUPAC1-[[1-(4-chlorophenyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-ethylamino]pentan-2-ol
SMILESCCCC(O)CN(CC)Cc1nn(-c2ccc(Cl)cc2)c2c1CN(Cc1ccccc1F)CC2
InChIInChI=1S/C27H34ClFN4O/c1-3-7-23(34)17-31(4-2)19-26-24-18-32(16-20-8-5-6-9-25(20)29)15-14-27(24)33(30-26)22-12-10-21(28)11-13-22/h5-6,8-13,23,34H,3-4,7,14-19H2,1-2H3
InChIKeyCFKYLZKZQGZYAZ-UHFFFAOYSA-N
MW485.05 g/mol
LogP5.21
Rot. Bonds10

About 1-[[1-(4-chlorophenyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-ethylamino]pentan-2-ol

1-[[1-(4-chlorophenyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-ethylamino]pentan-2-ol (PubChem CID 42872684) has the molecular formula C27H34ClFN4O and a molecular weight of 485.05 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-ethylamino]pentan-2-ol.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-ethylamino]pentan-2-ol
PubChem CID42872684
Molecular FormulaC27H34ClFN4O
Molecular Weight485.05 g/mol
Exact Mass484.24
IUPAC Name1-[[1-(4-chlorophenyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-ethylamino]pentan-2-ol
SMILESCCCC(O)CN(CC)Cc1nn(-c2ccc(Cl)cc2)c2c1CN(Cc1ccccc1F)CC2
InChIInChI=1S/C27H34ClFN4O/c1-3-7-23(34)17-31(4-2)19-26-24-18-32(16-20-8-5-6-9-25(20)29)15-14-27(24)33(30-26)22-12-10-21(28)11-13-22/h5-6,8-13,23,34H,3-4,7,14-19H2,1-2H3
InChIKeyCFKYLZKZQGZYAZ-UHFFFAOYSA-N
XLogP5.21
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.05
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 42871530
1-[[5-[(4-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-(2-methylpropyl)amino]-3-methylbutan-2-ol
CID 42801955
N-(cyclopropylmethyl)-N-[[5-[(2-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]methanesulfonamide
CID 42807700
N-(cyclopropylmethyl)-N-[[5-[(2-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanecarboxamide
CID 42801982
N-ethyl-N-[[1-(3-fluorophenyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-nitrobenzamide
CID 42806443
N-ethyl-2,6-difluoro-N-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]benzamide
CID 46074420
N-[(5-benzyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-ethylacetamide
CID 42808543
N-[[5-[(2-fluorophenyl)methyl]-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methoxy-N-methylacetamide
CID 42871607
N-[[5-[(4-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)methanesulfonamide
CID 42872679
3-tert-butyl-1-[[5-[(2-fluorophenyl)methyl]-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-1-methylurea
CID 42871794
N-ethyl-N-[[1-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methoxyacetamide
CID 42801915
N-[[1-(3-chlorophenyl)-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 42871544

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-ethylamino]pentan-2-ol?
The IUPAC name of 1-[[1-(4-chlorophenyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-ethylamino]pentan-2-ol (CID 42872684) is 1-[[1-(4-chlorophenyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-ethylamino]pentan-2-ol.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-ethylamino]pentan-2-ol?
The canonical SMILES for 1-[[1-(4-chlorophenyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-ethylamino]pentan-2-ol is CCCC(O)CN(CC)Cc1nn(-c2ccc(Cl)cc2)c2c1CN(Cc1ccccc1F)CC2.
What is the InChIKey of 1-[[1-(4-chlorophenyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-ethylamino]pentan-2-ol?
The InChIKey is CFKYLZKZQGZYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClFN4O/c1-3-7-23(34)17-31(4-2)19-26-24-18-32(16-20-8-5-6-9-25(20)29)15-14-27(24)33(30-26)22-12-10-21(28)11-13-22/h5-6,8-13,23,34H,3-4,7,14-19H2,1-2H3.
What are the key properties of 1-[[1-(4-chlorophenyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-ethylamino]pentan-2-ol?
1-[[1-(4-chlorophenyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-ethylamino]pentan-2-ol has a molecular weight of 485.05 g/mol, XLogP of 5.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-ethylamino]pentan-2-ol is sourced from PubChem (CID 42872684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).