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

C19H21N9O2 — CID 54761642

IUPAC6-cyclopropyl-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCCNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C
InChIInChI=1S/C19H21N9O2/c1-3-22-19(30)16-14(9-24-28(16)2)27-18(29)15-17(25-12-6-20-10-21-7-12)23-8-13(26-15)11-4-5-11/h6-11H,3-5H2,1-2H3,(H,22,30)(H,23,25)(H,27,29)
InChIKeyLZGWTTLJRKTMBW-UHFFFAOYSA-N
MW407.44 g/mol
LogP1.62
Rot. Bonds7

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

6-cyclopropyl-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 54761642) has the molecular formula C19H21N9O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is 6-cyclopropyl-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID54761642
Molecular FormulaC19H21N9O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC Name6-cyclopropyl-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCCNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C
InChIInChI=1S/C19H21N9O2/c1-3-22-19(30)16-14(9-24-28(16)2)27-18(29)15-17(25-12-6-20-10-21-7-12)23-8-13(26-15)11-4-5-11/h6-11H,3-5H2,1-2H3,(H,22,30)(H,23,25)(H,27,29)
InChIKeyLZGWTTLJRKTMBW-UHFFFAOYSA-N
XLogP1.62
TPSA139.61 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 54761642) is 6-cyclopropyl-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CCNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C.
What is the InChIKey of 6-cyclopropyl-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is LZGWTTLJRKTMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N9O2/c1-3-22-19(30)16-14(9-24-28(16)2)27-18(29)15-17(25-12-6-20-10-21-7-12)23-8-13(26-15)11-4-5-11/h6-11H,3-5H2,1-2H3,(H,22,30)(H,23,25)(H,27,29).
What are the key properties of 6-cyclopropyl-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 407.44 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 54761642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).