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

C23H21N5O — CID 118660651

IUPAC1-amino-N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide
SMILESCn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)NC5CC5)cc34)cc2)cn1
InChIInChI=1S/C23H21N5O/c1-28-13-17(11-26-28)14-2-4-15(5-3-14)21-12-25-22(24)19-9-6-16(10-20(19)21)23(29)27-18-7-8-18/h2-6,9-13,18H,7-8H2,1H3,(H2,24,25)(H,27,29)
InChIKeyHAEDHIQEQOEOHP-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.78
Rot. Bonds4

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

1-amino-N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide (PubChem CID 118660651) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 1-amino-N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide.

Molecular Properties

Compound Name1-amino-N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide
PubChem CID118660651
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name1-amino-N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide
SMILESCn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)NC5CC5)cc34)cc2)cn1
InChIInChI=1S/C23H21N5O/c1-28-13-17(11-26-28)14-2-4-15(5-3-14)21-12-25-22(24)19-9-6-16(10-20(19)21)23(29)27-18-7-8-18/h2-6,9-13,18H,7-8H2,1H3,(H2,24,25)(H,27,29)
InChIKeyHAEDHIQEQOEOHP-UHFFFAOYSA-N
XLogP3.78
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Cirtuvivint
CID 132056570
3-((2-Amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)ethynyl)-N-(4-chlorophenyl)-4-methylbenzamide
CID 145996526
N-methyl-4-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)isoquinoline-6-carboxamide
CID 118660909
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide
CID 138585697
Benzo[c][1,6]naphthyridin-1(2H)-one, 4-(2-cyclopropylethynyl)-9-(1H-pyrazol-4-yl)-6-[[(1R)-1,2,2-trimethylpropyl]amino]-
CID 59375618
2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 995079
2-Tert-butyl-1'-[1-(methylamino)isoquinoline-7-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56968003
1-Ethyl-3-[8-methyl-5-(1-methylpyrazol-4-yl)isoquinolin-3-yl]urea;hydrochloride
CID 67452661
1-amino-N-cyclopropyl-7-(3-fluorophenyl)isoquinoline-4-carboxamide
CID 71679299
US9533987, example 31
CID 86344746
N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-(1,4-dimethyl-1H-pyrazol-5-yl)-2-methyl-5-[2-(methylamino)pyrimidin-5-yl]benzamide
CID 118324431
(1-amino-4-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)isoquinolin-6-yl)(3-methoxy-3-methylazetidin-1-yl)methanone
CID 118660576

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide?
The IUPAC name of 1-amino-N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide (CID 118660651) is 1-amino-N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide.
What is the SMILES notation for 1-amino-N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide?
The canonical SMILES for 1-amino-N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide is Cn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)NC5CC5)cc34)cc2)cn1.
What is the InChIKey of 1-amino-N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide?
The InChIKey is HAEDHIQEQOEOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-28-13-17(11-26-28)14-2-4-15(5-3-14)21-12-25-22(24)19-9-6-16(10-20(19)21)23(29)27-18-7-8-18/h2-6,9-13,18H,7-8H2,1H3,(H2,24,25)(H,27,29).
What are the key properties of 1-amino-N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide?
1-amino-N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide is sourced from PubChem (CID 118660651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).