N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide

C23H20N4O — CID 118660612

IUPACN-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide
SMILESCn1cc(-c2ccc(-c3cncc4ccc(C(=O)NC5CC5)cc34)cc2)cn1
InChIInChI=1S/C23H20N4O/c1-27-14-19(12-25-27)15-2-4-16(5-3-15)22-13-24-11-18-7-6-17(10-21(18)22)23(28)26-20-8-9-20/h2-7,10-14,20H,8-9H2,1H3,(H,26,28)
InChIKeyALVRKNONSXJKLX-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.19
Rot. Bonds4

About N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide

N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide (PubChem CID 118660612) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide
PubChem CID118660612
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide
SMILESCn1cc(-c2ccc(-c3cncc4ccc(C(=O)NC5CC5)cc34)cc2)cn1
InChIInChI=1S/C23H20N4O/c1-27-14-19(12-25-27)15-2-4-16(5-3-15)22-13-24-11-18-7-6-17(10-21(18)22)23(28)26-20-8-9-20/h2-7,10-14,20H,8-9H2,1H3,(H,26,28)
InChIKeyALVRKNONSXJKLX-UHFFFAOYSA-N
XLogP4.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-methyl-3-(1-(2-methylphenyl)phthalazin-6-yl)benzamide
CID 24941253
OT-82
CID 118203189
c-Met Inhibitor D6808
CID 165437862
5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-isoindol-1-one
CID 25093327
N-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzamide
CID 165430631
N-Cyclopropyl-4-methyl-3-(1-phenyl-6-phthalazinyl)benzamide
CID 11848567
N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660644
N-methyl-4-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)isoquinoline-6-carboxamide
CID 118660909
4-[5-(1-Methylpyrazol-4-yl)pyridin-3-yl]benzamide
CID 145915878
N-[4-[1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-6-yl(propyl)amino]butyl]-4-phenylbenzamide
CID 52937680
2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 995079
6-(3-aminopropyl)-9-(1-methyl-1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443524

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide?
The IUPAC name of N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide (CID 118660612) is N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide is Cn1cc(-c2ccc(-c3cncc4ccc(C(=O)NC5CC5)cc34)cc2)cn1.
What is the InChIKey of N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide?
The InChIKey is ALVRKNONSXJKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-27-14-19(12-25-27)15-2-4-16(5-3-15)22-13-24-11-18-7-6-17(10-21(18)22)23(28)26-20-8-9-20/h2-7,10-14,20H,8-9H2,1H3,(H,26,28).
What are the key properties of N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide?
N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide is sourced from PubChem (CID 118660612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).