N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide

C18H19N5O — CID 168793398

IUPACN-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)N4CCCC4)cc3c2)cn1
InChIInChI=1S/C18H19N5O/c1-22-12-16(11-20-22)13-4-5-14-10-19-17(9-15(14)8-13)21-18(24)23-6-2-3-7-23/h4-5,8-12H,2-3,6-7H2,1H3,(H,19,21,24)
InChIKeyPYNCQCZGDGAFIZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.26
Rot. Bonds2

About N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide

N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide (PubChem CID 168793398) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide
PubChem CID168793398
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)N4CCCC4)cc3c2)cn1
InChIInChI=1S/C18H19N5O/c1-22-12-16(11-20-22)13-4-5-14-10-19-17(9-15(14)8-13)21-18(24)23-6-2-3-7-23/h4-5,8-12H,2-3,6-7H2,1H3,(H,19,21,24)
InChIKeyPYNCQCZGDGAFIZ-UHFFFAOYSA-N
XLogP3.26
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-dimethylpropyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperazine-1-carboxamide
CID 135251253
N-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-methylpiperazine-1-carboxamide
CID 172851605
(Z)-4-methyl-3-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]-4-pyrrolidin-1-ylpent-2-ene-1-thiol
CID 166954545
6-(1-methylpyrazol-4-yl)-N-[(3S)-3-pyrrolidin-1-ylbut-1-en-2-yl]isoquinolin-3-amine
CID 166954289
2-(4-cyclopropylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide
CID 155241408
3-(hydroxymethyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]bicyclo[1.1.0]butane-1-carboxamide
CID 166702449
6-(1-methylpyrazol-4-yl)-N-[1-[1-(3-pyrrolidin-1-ylprop-1-en-2-yl)piperidin-4-yl]ethenyl]isoquinolin-3-amine
CID 166954852
6-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrrolidin-2-yl)ethenyl]isoquinolin-3-amine
CID 166954628
4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide
CID 167945884
N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]morpholine-4-carboxamide
CID 138559189
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-2-carbothioamide
CID 166954294
N-[1-(1-cyclopropylpiperidin-4-yl)ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 166954586

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide (CID 168793398) is N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide is Cn1cc(-c2ccc3cnc(NC(=O)N4CCCC4)cc3c2)cn1.
What is the InChIKey of N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is PYNCQCZGDGAFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-22-12-16(11-20-22)13-4-5-14-10-19-17(9-15(14)8-13)21-18(24)23-6-2-3-7-23/h4-5,8-12H,2-3,6-7H2,1H3,(H,19,21,24).
What are the key properties of N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide?
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 168793398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).