N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]isoquinoline-1-carboxamide

C25H25N5O2 — CID 99741183

IUPACN-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]isoquinoline-1-carboxamide
SMILESCOc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4nccc5ccccc45)C3)n[nH]2)cc1
InChIInChI=1S/C25H25N5O2/c1-32-20-10-8-18(9-11-20)22-15-23(29-28-22)30-14-4-6-19(16-30)27-25(31)24-21-7-3-2-5-17(21)12-13-26-24/h2-3,5,7-13,15,19H,4,6,14,16H2,1H3,(H,27,31)(H,28,29)/t19-/m1/s1
InChIKeyALVXYUXGDZFFPB-LJQANCHMSA-N
MW427.51 g/mol
LogP4.03
Rot. Bonds5

About N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]isoquinoline-1-carboxamide

N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]isoquinoline-1-carboxamide (PubChem CID 99741183) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]isoquinoline-1-carboxamide
PubChem CID99741183
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]isoquinoline-1-carboxamide
SMILESCOc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4nccc5ccccc45)C3)n[nH]2)cc1
InChIInChI=1S/C25H25N5O2/c1-32-20-10-8-18(9-11-20)22-15-23(29-28-22)30-14-4-6-19(16-30)27-25(31)24-21-7-3-2-5-17(21)12-13-26-24/h2-3,5,7-13,15,19H,4,6,14,16H2,1H3,(H,27,31)(H,28,29)/t19-/m1/s1
InChIKeyALVXYUXGDZFFPB-LJQANCHMSA-N
XLogP4.03
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 91887918
N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide
CID 99741436
4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 53181016
2,4-dimethoxy-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 99741411
N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-4-carboxamide
CID 99741441
N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide
CID 99756654
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91914563
2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide
CID 99741177
N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide
CID 99741494
N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide
CID 99741101
N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide
CID 91904801
4-bromo-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 91888184

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]isoquinoline-1-carboxamide?
The IUPAC name of N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]isoquinoline-1-carboxamide (CID 99741183) is N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]isoquinoline-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]isoquinoline-1-carboxamide?
The canonical SMILES for N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]isoquinoline-1-carboxamide is COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4nccc5ccccc45)C3)n[nH]2)cc1.
What is the InChIKey of N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]isoquinoline-1-carboxamide?
The InChIKey is ALVXYUXGDZFFPB-LJQANCHMSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-32-20-10-8-18(9-11-20)22-15-23(29-28-22)30-14-4-6-19(16-30)27-25(31)24-21-7-3-2-5-17(21)12-13-26-24/h2-3,5,7-13,15,19H,4,6,14,16H2,1H3,(H,27,31)(H,28,29)/t19-/m1/s1.
What are the key properties of N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]isoquinoline-1-carboxamide?
N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]isoquinoline-1-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]isoquinoline-1-carboxamide is sourced from PubChem (CID 99741183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).