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

C19H20FN9O2 — CID 54760378

IUPAC6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)NCCF
InChIInChI=1S/C19H20FN9O2/c1-29-16(19(31)23-5-4-20)14(9-25-29)28-18(30)15-17(26-12-6-21-10-22-7-12)24-8-13(27-15)11-2-3-11/h6-11H,2-5H2,1H3,(H,23,31)(H,24,26)(H,28,30)
InChIKeyOMHUYKAQIVGGEB-UHFFFAOYSA-N
MW425.43 g/mol
LogP1.57
Rot. Bonds8

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

6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 54760378) has the molecular formula C19H20FN9O2 and a molecular weight of 425.43 g/mol. Its IUPAC name is 6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID54760378
Molecular FormulaC19H20FN9O2
Molecular Weight425.43 g/mol
Exact Mass425.17
IUPAC Name6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)NCCF
InChIInChI=1S/C19H20FN9O2/c1-29-16(19(31)23-5-4-20)14(9-25-29)28-18(30)15-17(26-12-6-21-10-22-7-12)24-8-13(27-15)11-2-3-11/h6-11H,2-5H2,1H3,(H,23,31)(H,24,26)(H,28,30)
InChIKeyOMHUYKAQIVGGEB-UHFFFAOYSA-N
XLogP1.57
TPSA139.61 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 51.57
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-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 54760378) is 6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)NCCF.
What is the InChIKey of 6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is OMHUYKAQIVGGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN9O2/c1-29-16(19(31)23-5-4-20)14(9-25-29)28-18(30)15-17(26-12-6-21-10-22-7-12)24-8-13(27-15)11-2-3-11/h6-11H,2-5H2,1H3,(H,23,31)(H,24,26)(H,28,30).
What are the key properties of 6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 425.43 g/mol, XLogP of 1.57, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 54760378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).