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

C17H17N9O3 — CID 54759654

IUPAC6-acetyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(C(C)=O)cnc2Nc2cncnc2)cnn1C
InChIInChI=1S/C17H17N9O3/c1-9(27)11-6-21-15(23-10-4-19-8-20-5-10)13(24-11)16(28)25-12-7-22-26(3)14(12)17(29)18-2/h4-8H,1-3H3,(H,18,29)(H,21,23)(H,25,28)
InChIKeyUYVJTRCCFILZRE-UHFFFAOYSA-N
MW395.38 g/mol
LogP0.56
Rot. Bonds6

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

6-acetyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 54759654) has the molecular formula C17H17N9O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is 6-acetyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-acetyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID54759654
Molecular FormulaC17H17N9O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name6-acetyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(C(C)=O)cnc2Nc2cncnc2)cnn1C
InChIInChI=1S/C17H17N9O3/c1-9(27)11-6-21-15(23-10-4-19-8-20-5-10)13(24-11)16(28)25-12-7-22-26(3)14(12)17(29)18-2/h4-8H,1-3H3,(H,18,29)(H,21,23)(H,25,28)
InChIKeyUYVJTRCCFILZRE-UHFFFAOYSA-N
XLogP0.56
TPSA156.68 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

6-cyclopropyl-N-{5-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methyl-1H-pyrazol-4-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide
CID 54761297
6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide
CID 54761299
N-[1-methyl-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-6-[(3S)-oxolan-3-yl]-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide
CID 58548208
US10155765, Example 31
CID 121493987
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid [5-(isoxazolidine-2-carbonyl)-1-methyl-1H-pyrazol-4-yl]-amide
CID 54760941
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid (1-methyl-5-{[(S)-1-(tetrahydro-furan-2-yl)methyl]-carbamoyl}-1H-pyrazol-4-yl)-amide
CID 54759456
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid (1-methyl-5-{[(R)-1-(tetrahydro-furan-2-yl)methyl]-carbamoyl}-1H-pyrazol-4-yl)-amide
CID 54759457
6-Methoxy-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid (1-methyl-5-methylcarbamoyl-1H-pyrazol-4-yl)-amide
CID 54759459
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid [1-(2-hydroxy-ethyl)-5-methylcarbamoyl-1H-pyrazol-4-yl]-amide
CID 54759649
6-cyclopropyl-N-[5-(methylcarbamoyl)-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54759650
6-cyclopropyl-N-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54759651
6-cyclopropyl-N-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54759652

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-acetyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 54759654) is 6-acetyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-acetyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-acetyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CNC(=O)c1c(NC(=O)c2nc(C(C)=O)cnc2Nc2cncnc2)cnn1C.
What is the InChIKey of 6-acetyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is UYVJTRCCFILZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N9O3/c1-9(27)11-6-21-15(23-10-4-19-8-20-5-10)13(24-11)16(28)25-12-7-22-26(3)14(12)17(29)18-2/h4-8H,1-3H3,(H,18,29)(H,21,23)(H,25,28).
What are the key properties of 6-acetyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-acetyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 395.38 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 54759654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).