6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyridin-3-ylamino)pyrazine-2-carboxamide

C19H20N8O2 — CID 58548332

IUPAC6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyridin-3-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cccnc2)cnn1C
InChIInChI=1S/C19H20N8O2/c1-20-19(29)16-14(10-23-27(16)2)26-18(28)15-17(24-12-4-3-7-21-8-12)22-9-13(25-15)11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H,20,29)(H,22,24)(H,26,28)
InChIKeyKLWKRJZXPQMWCG-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.84
Rot. Bonds6

About 6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyridin-3-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyridin-3-ylamino)pyrazine-2-carboxamide (PubChem CID 58548332) has the molecular formula C19H20N8O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyridin-3-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyridin-3-ylamino)pyrazine-2-carboxamide
PubChem CID58548332
Molecular FormulaC19H20N8O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyridin-3-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cccnc2)cnn1C
InChIInChI=1S/C19H20N8O2/c1-20-19(29)16-14(10-23-27(16)2)26-18(28)15-17(24-12-4-3-7-21-8-12)22-9-13(25-15)11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H,20,29)(H,22,24)(H,26,28)
InChIKeyKLWKRJZXPQMWCG-UHFFFAOYSA-N
XLogP1.84
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1S,2S)-2-{[3-Ethyl-5-(trifluoromethyl)pyrazin-2-yl]amino}cyclopentyl]-3-(2H-1,2,3-triazol-2-yl)pyridine-2-carboxamide
CID 118308154
6-cyclopropyl-N-{1-[2-(dimethylamino)ethyl]-3-(pyridin-2-yl)-1H-pyrazol-5-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 53328445
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (2-cyclohexyl-5-pyridin-2-yl-2H-pyrazol-3-yl)-amide
CID 53328447
6-cyclopropyl-N-[1-(2-methylpropyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328989
N-[1-(cyclopentylmethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329168
N-[1-(cyclohexylmethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329169
6-cyclopropyl-N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54761643
6-cyclopropyl-N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58368041
6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548204
6-cyclopropyl-N-[2-(2-hydroxyethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548413
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 71288606
Dipyridodiazepinone deriv. 54
CID 5327611

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyridin-3-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyridin-3-ylamino)pyrazine-2-carboxamide (CID 58548332) is 6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyridin-3-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyridin-3-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyridin-3-ylamino)pyrazine-2-carboxamide is CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cccnc2)cnn1C.
What is the InChIKey of 6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyridin-3-ylamino)pyrazine-2-carboxamide?
The InChIKey is KLWKRJZXPQMWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O2/c1-20-19(29)16-14(10-23-27(16)2)26-18(28)15-17(24-12-4-3-7-21-8-12)22-9-13(25-15)11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H,20,29)(H,22,24)(H,26,28).
What are the key properties of 6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyridin-3-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyridin-3-ylamino)pyrazine-2-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyridin-3-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).