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

C21H25N9O2 — CID 54760196

IUPAC6-cyclopropyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C
InChIInChI=1S/C21H25N9O2/c1-12(2)6-25-21(32)18-16(10-26-30(18)3)29-20(31)17-19(27-14-7-22-11-23-8-14)24-9-15(28-17)13-4-5-13/h7-13H,4-6H2,1-3H3,(H,24,27)(H,25,32)(H,29,31)
InChIKeyWPVBTKZIGJNBOC-UHFFFAOYSA-N
MW435.49 g/mol
LogP2.26
Rot. Bonds8

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

6-cyclopropyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 54760196) has the molecular formula C21H25N9O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID54760196
Molecular FormulaC21H25N9O2
Molecular Weight435.49 g/mol
Exact Mass435.21
IUPAC Name6-cyclopropyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C
InChIInChI=1S/C21H25N9O2/c1-12(2)6-25-21(32)18-16(10-26-30(18)3)29-20(31)17-19(27-14-7-22-11-23-8-14)24-9-15(28-17)13-4-5-13/h7-13H,4-6H2,1-3H3,(H,24,27)(H,25,32)(H,29,31)
InChIKeyWPVBTKZIGJNBOC-UHFFFAOYSA-N
XLogP2.26
TPSA139.61 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 54760196) is 6-cyclopropyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CC(C)CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C.
What is the InChIKey of 6-cyclopropyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is WPVBTKZIGJNBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N9O2/c1-12(2)6-25-21(32)18-16(10-26-30(18)3)29-20(31)17-19(27-14-7-22-11-23-8-14)24-9-15(28-17)13-4-5-13/h7-13H,4-6H2,1-3H3,(H,24,27)(H,25,32)(H,29,31).
What are the key properties of 6-cyclopropyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 2.26, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 54760196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).