N-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]cyclohexyl]acetamide

C20H23N5O — CID 58082313

IUPACN-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1
InChIInChI=1S/C20H23N5O/c1-13(26)24-18-4-6-19(7-5-18)25-20-9-16-8-14(17-11-22-23-12-17)2-3-15(16)10-21-20/h2-3,8-12,18-19H,4-7H2,1H3,(H,21,25)(H,22,23)(H,24,26)
InChIKeyJIBJLRNBEGAILN-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.48
Rot. Bonds4

About N-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]cyclohexyl]acetamide

N-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]cyclohexyl]acetamide (PubChem CID 58082313) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]cyclohexyl]acetamide
PubChem CID58082313
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1
InChIInChI=1S/C20H23N5O/c1-13(26)24-18-4-6-19(7-5-18)25-20-9-16-8-14(17-11-22-23-12-17)2-3-15(16)10-21-20/h2-3,8-12,18-19H,4-7H2,1H3,(H,21,25)(H,22,23)(H,24,26)
InChIKeyJIBJLRNBEGAILN-UHFFFAOYSA-N
XLogP3.48
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]cyclohexyl]acetamide with MolForge

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Related Compounds

4-[(dimethylamino)methyl]-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 163798960
2-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]acetic acid
CID 166687833
2-[methyl-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide
CID 135254279
2-chloro-N-cyclopropyl-5-(1H-pyrazol-4-yl)benzamide
CID 129283620
4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole
CID 168867710
1-N,1-N-diethyl-2-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]prop-2-ene-1,2-diamine
CID 166954887
N-[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethenyl]-6-(1H-pyrazol-4-yl)isoquinolin-3-amine
CID 166954882
N-[2-oxo-2-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]ethyl]-1-phenylcyclopropane-1-carboxamide
CID 59224427
1-(3,3-difluorocyclobutyl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 149486179
N-cyclopropyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137379449
N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 58082338
N-[4-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]cyclohexyl]acetamide
CID 139574214

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]cyclohexyl]acetamide (CID 58082313) is N-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(Nc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.
What is the InChIKey of N-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]cyclohexyl]acetamide?
The InChIKey is JIBJLRNBEGAILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13(26)24-18-4-6-19(7-5-18)25-20-9-16-8-14(17-11-22-23-12-17)2-3-15(16)10-21-20/h2-3,8-12,18-19H,4-7H2,1H3,(H,21,25)(H,22,23)(H,24,26).
What are the key properties of N-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]cyclohexyl]acetamide?
N-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]cyclohexyl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 58082313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).