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

C20H23N9O2 — CID 54761641

IUPAC6-cyclopropyl-N-[5-[ethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCCN(C)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C
InChIInChI=1S/C20H23N9O2/c1-4-28(2)20(31)17-15(10-24-29(17)3)27-19(30)16-18(25-13-7-21-11-22-8-13)23-9-14(26-16)12-5-6-12/h7-12H,4-6H2,1-3H3,(H,23,25)(H,27,30)
InChIKeyVSXVQAWSWVTBIX-UHFFFAOYSA-N
MW421.47 g/mol
LogP1.97
Rot. Bonds7

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

6-cyclopropyl-N-[5-[ethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 54761641) has the molecular formula C20H23N9O2 and a molecular weight of 421.47 g/mol. Its IUPAC name is 6-cyclopropyl-N-[5-[ethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[5-[ethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID54761641
Molecular FormulaC20H23N9O2
Molecular Weight421.47 g/mol
Exact Mass421.20
IUPAC Name6-cyclopropyl-N-[5-[ethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCCN(C)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C
InChIInChI=1S/C20H23N9O2/c1-4-28(2)20(31)17-15(10-24-29(17)3)27-19(30)16-18(25-13-7-21-11-22-8-13)23-9-14(26-16)12-5-6-12/h7-12H,4-6H2,1-3H3,(H,23,25)(H,27,30)
InChIKeyVSXVQAWSWVTBIX-UHFFFAOYSA-N
XLogP1.97
TPSA130.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 51.97
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-[ethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[5-[ethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 54761641) is 6-cyclopropyl-N-[5-[ethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[5-[ethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[5-[ethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CCN(C)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C.
What is the InChIKey of 6-cyclopropyl-N-[5-[ethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is VSXVQAWSWVTBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N9O2/c1-4-28(2)20(31)17-15(10-24-29(17)3)27-19(30)16-18(25-13-7-21-11-22-8-13)23-9-14(26-16)12-5-6-12/h7-12H,4-6H2,1-3H3,(H,23,25)(H,27,30).
What are the key properties of 6-cyclopropyl-N-[5-[ethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[5-[ethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 421.47 g/mol, XLogP of 1.97, 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-[ethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 54761641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).