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

C18H22N10O2 — CID 58548292

IUPAC6-[ethyl(methyl)amino]-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCCN(C)c1cnc(Nc2cncnc2)c(C(=O)Nc2cnn(C)c2C(=O)NC)n1
InChIInChI=1S/C18H22N10O2/c1-5-27(3)13-9-22-16(24-11-6-20-10-21-7-11)14(26-13)17(29)25-12-8-23-28(4)15(12)18(30)19-2/h6-10H,5H2,1-4H3,(H,19,30)(H,22,24)(H,25,29)
InChIKeyBVCYGRQXRQRGDZ-UHFFFAOYSA-N
MW410.44 g/mol
LogP0.81
Rot. Bonds7

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

6-[ethyl(methyl)amino]-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548292) has the molecular formula C18H22N10O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 6-[ethyl(methyl)amino]-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[ethyl(methyl)amino]-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548292
Molecular FormulaC18H22N10O2
Molecular Weight410.44 g/mol
Exact Mass410.19
IUPAC Name6-[ethyl(methyl)amino]-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCCN(C)c1cnc(Nc2cncnc2)c(C(=O)Nc2cnn(C)c2C(=O)NC)n1
InChIInChI=1S/C18H22N10O2/c1-5-27(3)13-9-22-16(24-11-6-20-10-21-7-11)14(26-13)17(29)25-12-8-23-28(4)15(12)18(30)19-2/h6-10H,5H2,1-4H3,(H,19,30)(H,22,24)(H,25,29)
InChIKeyBVCYGRQXRQRGDZ-UHFFFAOYSA-N
XLogP0.81
TPSA142.85 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(methyl)amino]-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-[ethyl(methyl)amino]-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548292) is 6-[ethyl(methyl)amino]-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-[ethyl(methyl)amino]-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-[ethyl(methyl)amino]-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CCN(C)c1cnc(Nc2cncnc2)c(C(=O)Nc2cnn(C)c2C(=O)NC)n1.
What is the InChIKey of 6-[ethyl(methyl)amino]-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is BVCYGRQXRQRGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N10O2/c1-5-27(3)13-9-22-16(24-11-6-20-10-21-7-11)14(26-13)17(29)25-12-8-23-28(4)15(12)18(30)19-2/h6-10H,5H2,1-4H3,(H,19,30)(H,22,24)(H,25,29).
What are the key properties of 6-[ethyl(methyl)amino]-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-[ethyl(methyl)amino]-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 410.44 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(methyl)amino]-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).