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

C20H22FN9O2 — CID 54762203

IUPAC6-cyclopropyl-N-[5-[2-fluoroethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(CCF)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C
InChIInChI=1S/C20H22FN9O2/c1-29(6-5-21)20(32)17-15(10-25-30(17)2)28-19(31)16-18(26-13-7-22-11-23-8-13)24-9-14(27-16)12-3-4-12/h7-12H,3-6H2,1-2H3,(H,24,26)(H,28,31)
InChIKeySKVUMJTYKVPONF-UHFFFAOYSA-N
MW439.46 g/mol
LogP1.91
Rot. Bonds8

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

6-cyclopropyl-N-[5-[2-fluoroethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 54762203) has the molecular formula C20H22FN9O2 and a molecular weight of 439.46 g/mol. Its IUPAC name is 6-cyclopropyl-N-[5-[2-fluoroethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[5-[2-fluoroethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID54762203
Molecular FormulaC20H22FN9O2
Molecular Weight439.46 g/mol
Exact Mass439.19
IUPAC Name6-cyclopropyl-N-[5-[2-fluoroethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(CCF)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C
InChIInChI=1S/C20H22FN9O2/c1-29(6-5-21)20(32)17-15(10-25-30(17)2)28-19(31)16-18(26-13-7-22-11-23-8-13)24-9-14(27-16)12-3-4-12/h7-12H,3-6H2,1-2H3,(H,24,26)(H,28,31)
InChIKeySKVUMJTYKVPONF-UHFFFAOYSA-N
XLogP1.91
TPSA130.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 51.91
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-[2-fluoroethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[5-[2-fluoroethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 54762203) is 6-cyclopropyl-N-[5-[2-fluoroethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[5-[2-fluoroethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[5-[2-fluoroethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CN(CCF)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C.
What is the InChIKey of 6-cyclopropyl-N-[5-[2-fluoroethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is SKVUMJTYKVPONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN9O2/c1-29(6-5-21)20(32)17-15(10-25-30(17)2)28-19(31)16-18(26-13-7-22-11-23-8-13)24-9-14(27-16)12-3-4-12/h7-12H,3-6H2,1-2H3,(H,24,26)(H,28,31).
What are the key properties of 6-cyclopropyl-N-[5-[2-fluoroethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[5-[2-fluoroethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 439.46 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[5-[2-fluoroethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 54762203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).