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

C17H19N9O2 — CID 165415420

IUPAC5,6-dimethyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(C)c(C)nc2Nc2cncnc2)cnn1C
InChIInChI=1S/C17H19N9O2/c1-9-10(2)23-15(24-11-5-19-8-20-6-11)13(22-9)16(27)25-12-7-21-26(4)14(12)17(28)18-3/h5-8H,1-4H3,(H,18,28)(H,23,24)(H,25,27)
InChIKeyDGLLKQPVFGHZOQ-UHFFFAOYSA-N
MW381.40 g/mol
LogP0.97
Rot. Bonds5

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

5,6-dimethyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165415420) has the molecular formula C17H19N9O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 5,6-dimethyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165415420
Molecular FormulaC17H19N9O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name5,6-dimethyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(C)c(C)nc2Nc2cncnc2)cnn1C
InChIInChI=1S/C17H19N9O2/c1-9-10(2)23-15(24-11-5-19-8-20-6-11)13(22-9)16(27)25-12-7-21-26(4)14(12)17(28)18-3/h5-8H,1-4H3,(H,18,28)(H,23,24)(H,25,27)
InChIKeyDGLLKQPVFGHZOQ-UHFFFAOYSA-N
XLogP0.97
TPSA139.61 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 5,6-dimethyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165415420) is 5,6-dimethyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 5,6-dimethyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 5,6-dimethyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CNC(=O)c1c(NC(=O)c2nc(C)c(C)nc2Nc2cncnc2)cnn1C.
What is the InChIKey of 5,6-dimethyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is DGLLKQPVFGHZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N9O2/c1-9-10(2)23-15(24-11-5-19-8-20-6-11)13(22-9)16(27)25-12-7-21-26(4)14(12)17(28)18-3/h5-8H,1-4H3,(H,18,28)(H,23,24)(H,25,27).
What are the key properties of 5,6-dimethyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
5,6-dimethyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165415420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).