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

C19H22N6O — CID 172851605

IUPACN-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-methylpiperazine-1-carboxamide
SMILES[2H]c1c(NC(=O)N2CCN(C)CC2)ncc2ccc(-c3cnn(C)c3)cc12
InChIInChI=1S/C19H22N6O/c1-23-5-7-25(8-6-23)19(26)22-18-10-16-9-14(3-4-15(16)11-20-18)17-12-21-24(2)13-17/h3-4,9-13H,5-8H2,1-2H3,(H,20,22,26)/i10D
InChIKeyYDKPWXYKPZZBPU-MMIHMFRQSA-N
MW351.43 g/mol
LogP2.41
Rot. Bonds2

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

N-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-methylpiperazine-1-carboxamide (PubChem CID 172851605) has the molecular formula C19H22N6O and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-methylpiperazine-1-carboxamide
PubChem CID172851605
Molecular FormulaC19H22N6O
Molecular Weight351.43 g/mol
Exact Mass351.19
IUPAC NameN-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-methylpiperazine-1-carboxamide
SMILES[2H]c1c(NC(=O)N2CCN(C)CC2)ncc2ccc(-c3cnn(C)c3)cc12
InChIInChI=1S/C19H22N6O/c1-23-5-7-25(8-6-23)19(26)22-18-10-16-9-14(3-4-15(16)11-20-18)17-12-21-24(2)13-17/h3-4,9-13H,5-8H2,1-2H3,(H,20,22,26)/i10D
InChIKeyYDKPWXYKPZZBPU-MMIHMFRQSA-N
XLogP2.41
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide
CID 168793398
4-(2,2-dimethylpropyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperazine-1-carboxamide
CID 135251253
4-tert-butyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazine-1-carboxamide
CID 167767382
2-(4-cyclopropylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide
CID 155241408
2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide
CID 146617128
N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide
CID 168926334
4-(dimethylamino)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-1-carboxamide
CID 167854454
3-(hydroxymethyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]bicyclo[1.1.0]butane-1-carboxamide
CID 166702449
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
CID 138591471
4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide
CID 167945884
4-methyl-1-(1-methylpiperidin-4-yl)sulfonyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrole-3-carboxamide
CID 170563373
N-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 142575205

Frequently Asked Questions

What is the IUPAC name of N-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-methylpiperazine-1-carboxamide (CID 172851605) is N-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-methylpiperazine-1-carboxamide is [2H]c1c(NC(=O)N2CCN(C)CC2)ncc2ccc(-c3cnn(C)c3)cc12.
What is the InChIKey of N-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-methylpiperazine-1-carboxamide?
The InChIKey is YDKPWXYKPZZBPU-MMIHMFRQSA-N. The full InChI is InChI=1S/C19H22N6O/c1-23-5-7-25(8-6-23)19(26)22-18-10-16-9-14(3-4-15(16)11-20-18)17-12-21-24(2)13-17/h3-4,9-13H,5-8H2,1-2H3,(H,20,22,26)/i10D.
What are the key properties of N-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-methylpiperazine-1-carboxamide?
N-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-methylpiperazine-1-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 172851605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).