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

C18H20N10O2 — CID 54761820

IUPAC6-(azetidin-1-yl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(N3CCC3)cnc2Nc2cncnc2)cnn1C
InChIInChI=1S/C18H20N10O2/c1-19-18(30)15-12(8-23-27(15)2)25-17(29)14-16(24-11-6-20-10-21-7-11)22-9-13(26-14)28-4-3-5-28/h6-10H,3-5H2,1-2H3,(H,19,30)(H,22,24)(H,25,29)
InChIKeyNRGQIVKNQRGXCH-UHFFFAOYSA-N
MW408.43 g/mol
LogP0.57
Rot. Bonds6

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

6-(azetidin-1-yl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 54761820) has the molecular formula C18H20N10O2 and a molecular weight of 408.43 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(azetidin-1-yl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID54761820
Molecular FormulaC18H20N10O2
Molecular Weight408.43 g/mol
Exact Mass408.18
IUPAC Name6-(azetidin-1-yl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(N3CCC3)cnc2Nc2cncnc2)cnn1C
InChIInChI=1S/C18H20N10O2/c1-19-18(30)15-12(8-23-27(15)2)25-17(29)14-16(24-11-6-20-10-21-7-11)22-9-13(26-14)28-4-3-5-28/h6-10H,3-5H2,1-2H3,(H,19,30)(H,22,24)(H,25,29)
InChIKeyNRGQIVKNQRGXCH-UHFFFAOYSA-N
XLogP0.57
TPSA142.85 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-1-yl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-(azetidin-1-yl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 54761820) is 6-(azetidin-1-yl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(azetidin-1-yl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-(azetidin-1-yl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CNC(=O)c1c(NC(=O)c2nc(N3CCC3)cnc2Nc2cncnc2)cnn1C.
What is the InChIKey of 6-(azetidin-1-yl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is NRGQIVKNQRGXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N10O2/c1-19-18(30)15-12(8-23-27(15)2)25-17(29)14-16(24-11-6-20-10-21-7-11)22-9-13(26-14)28-4-3-5-28/h6-10H,3-5H2,1-2H3,(H,19,30)(H,22,24)(H,25,29).
What are the key properties of 6-(azetidin-1-yl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-(azetidin-1-yl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-1-yl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 54761820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).