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

C21H23N9O2 — CID 54762011

IUPAC6-cyclopropyl-N-[5-[cyclopropyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C)C1CC1
InChIInChI=1S/C21H23N9O2/c1-29(14-5-6-14)21(32)18-16(10-25-30(18)2)28-20(31)17-19(26-13-7-22-11-23-8-13)24-9-15(27-17)12-3-4-12/h7-12,14H,3-6H2,1-2H3,(H,24,26)(H,28,31)
InChIKeyOHMXTNVLENAKIA-UHFFFAOYSA-N
MW433.48 g/mol
LogP2.11
Rot. Bonds7

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

6-cyclopropyl-N-[5-[cyclopropyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 54762011) has the molecular formula C21H23N9O2 and a molecular weight of 433.48 g/mol. Its IUPAC name is 6-cyclopropyl-N-[5-[cyclopropyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[5-[cyclopropyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID54762011
Molecular FormulaC21H23N9O2
Molecular Weight433.48 g/mol
Exact Mass433.20
IUPAC Name6-cyclopropyl-N-[5-[cyclopropyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C)C1CC1
InChIInChI=1S/C21H23N9O2/c1-29(14-5-6-14)21(32)18-16(10-25-30(18)2)28-20(31)17-19(26-13-7-22-11-23-8-13)24-9-15(27-17)12-3-4-12/h7-12,14H,3-6H2,1-2H3,(H,24,26)(H,28,31)
InChIKeyOHMXTNVLENAKIA-UHFFFAOYSA-N
XLogP2.11
TPSA130.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[5-[cyclopropyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[5-[cyclopropyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 54762011) is 6-cyclopropyl-N-[5-[cyclopropyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[5-[cyclopropyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[5-[cyclopropyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CN(C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C)C1CC1.
What is the InChIKey of 6-cyclopropyl-N-[5-[cyclopropyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is OHMXTNVLENAKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N9O2/c1-29(14-5-6-14)21(32)18-16(10-25-30(18)2)28-20(31)17-19(26-13-7-22-11-23-8-13)24-9-15(27-17)12-3-4-12/h7-12,14H,3-6H2,1-2H3,(H,24,26)(H,28,31).
What are the key properties of 6-cyclopropyl-N-[5-[cyclopropyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[5-[cyclopropyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 433.48 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[5-[cyclopropyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 54762011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).