5-methoxy-N-[5-(1,2,3,4-tetrahydroisoquinolin-6-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide

C20H20N6O3 — CID 154654108

IUPAC5-methoxy-N-[5-(1,2,3,4-tetrahydroisoquinolin-6-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESCOc1cncc(C(=O)Nc2cn[nH]c2C(=O)Nc2ccc3c(c2)CCNC3)c1
InChIInChI=1S/C20H20N6O3/c1-29-16-7-14(9-22-10-16)19(27)25-17-11-23-26-18(17)20(28)24-15-3-2-13-8-21-5-4-12(13)6-15/h2-3,6-7,9-11,21H,4-5,8H2,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyCCSVQSCQCYYUNI-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.96
Rot. Bonds5

About 5-methoxy-N-[5-(1,2,3,4-tetrahydroisoquinolin-6-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide

5-methoxy-N-[5-(1,2,3,4-tetrahydroisoquinolin-6-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 154654108) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 5-methoxy-N-[5-(1,2,3,4-tetrahydroisoquinolin-6-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[5-(1,2,3,4-tetrahydroisoquinolin-6-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide
PubChem CID154654108
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name5-methoxy-N-[5-(1,2,3,4-tetrahydroisoquinolin-6-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESCOc1cncc(C(=O)Nc2cn[nH]c2C(=O)Nc2ccc3c(c2)CCNC3)c1
InChIInChI=1S/C20H20N6O3/c1-29-16-7-14(9-22-10-16)19(27)25-17-11-23-26-18(17)20(28)24-15-3-2-13-8-21-5-4-12(13)6-15/h2-3,6-7,9-11,21H,4-5,8H2,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyCCSVQSCQCYYUNI-UHFFFAOYSA-N
XLogP1.96
TPSA121.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]pyridazine-3-carboxamide
CID 124156885
N-[5-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide
CID 154654067
5-methoxy-N-[5-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654093
5-methoxy-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654243
N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide
CID 154654365
5-methoxy-N-[5-[(6-piperazin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654411
N-[5-[[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-propan-2-yloxypyridine-3-carboxamide
CID 154654464
(4-(2-methoxyphenyl)piperazin-1-yl)(3-(pyridin-4-yl)-1H-pyrazol-5-yl)methanone
CID 53087371
(4-(2-methoxyphenyl)piperazin-1-yl)(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanone
CID 54582923
2-(5-methoxy-3-pyridinyl)-N-(1-methylpyrazol-4-yl)benzamide
CID 175665086
4-[(6-methoxyquinolin-4-yl)amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide
CID 137660860
5-ethyl-7-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,5-c]quinolin-4-one
CID 71539911

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[5-(1,2,3,4-tetrahydroisoquinolin-6-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-methoxy-N-[5-(1,2,3,4-tetrahydroisoquinolin-6-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide (CID 154654108) is 5-methoxy-N-[5-(1,2,3,4-tetrahydroisoquinolin-6-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-methoxy-N-[5-(1,2,3,4-tetrahydroisoquinolin-6-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-methoxy-N-[5-(1,2,3,4-tetrahydroisoquinolin-6-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide is COc1cncc(C(=O)Nc2cn[nH]c2C(=O)Nc2ccc3c(c2)CCNC3)c1.
What is the InChIKey of 5-methoxy-N-[5-(1,2,3,4-tetrahydroisoquinolin-6-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is CCSVQSCQCYYUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-29-16-7-14(9-22-10-16)19(27)25-17-11-23-26-18(17)20(28)24-15-3-2-13-8-21-5-4-12(13)6-15/h2-3,6-7,9-11,21H,4-5,8H2,1H3,(H,23,26)(H,24,28)(H,25,27).
What are the key properties of 5-methoxy-N-[5-(1,2,3,4-tetrahydroisoquinolin-6-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide?
5-methoxy-N-[5-(1,2,3,4-tetrahydroisoquinolin-6-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[5-(1,2,3,4-tetrahydroisoquinolin-6-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154654108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).