N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide

C19H21N5O — CID 142448011

IUPACN-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCC(C)c1[nH]ncc1-c1cc(N)c2cnc(NC(=O)C3CC3)cc2c1
InChIInChI=1S/C19H21N5O/c1-10(2)18-15(9-22-24-18)12-5-13-7-17(23-19(25)11-3-4-11)21-8-14(13)16(20)6-12/h5-11H,3-4,20H2,1-2H3,(H,22,24)(H,21,23,25)
InChIKeyAYIZGAPEUVHYFK-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.68
Rot. Bonds4

About N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 142448011) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID142448011
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCC(C)c1[nH]ncc1-c1cc(N)c2cnc(NC(=O)C3CC3)cc2c1
InChIInChI=1S/C19H21N5O/c1-10(2)18-15(9-22-24-18)12-5-13-7-17(23-19(25)11-3-4-11)21-8-14(13)16(20)6-12/h5-11H,3-4,20H2,1-2H3,(H,22,24)(H,21,23,25)
InChIKeyAYIZGAPEUVHYFK-UHFFFAOYSA-N
XLogP3.68
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[8-amino-6-[6-(difluoromethoxy)-4-ethyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 142448132
N-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 135342445
(2S)-N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 139468746
N-[8-amino-6-(2,3-dihydro-1H-indol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2R)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2S)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;methane
CID 162263736
N-[8-amino-6-[4-(hydroxymethyl)-2-methyl-1-azabicyclo[3.1.0]hexa-2,4-dien-3-yl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 142448172
N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 142447326
N-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410850
methyl 5-[8-amino-3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]isoquinolin-6-yl]-4-ethylpyridine-2-carboxylate
CID 140921514
N-[8-amino-6-(4-ethyl-3-pyridinyl)isoquinolin-3-yl]-2-(1H-pyrazol-5-yl)acetamide
CID 135342819
N-[8-amino-6-[4-methyl-5-(propan-2-ylamino)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135342904
cis-(1R,2R)-N-(8-amino-6-phenylisoquinolin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 159956287
N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135342379

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 142448011) is N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide is CC(C)c1[nH]ncc1-c1cc(N)c2cnc(NC(=O)C3CC3)cc2c1.
What is the InChIKey of N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is AYIZGAPEUVHYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-10(2)18-15(9-22-24-18)12-5-13-7-17(23-19(25)11-3-4-11)21-8-14(13)16(20)6-12/h5-11H,3-4,20H2,1-2H3,(H,22,24)(H,21,23,25).
What are the key properties of N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 142448011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).