6-cyclopropyl-N-[2-fluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C20H18FN7O2 — CID 58548155

IUPAC6-cyclopropyl-N-[2-fluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1cccc(F)c1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C20H18FN7O2/c1-22-19(29)13-3-2-4-14(21)16(13)28-20(30)17-18(26-12-7-23-10-24-8-12)25-9-15(27-17)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,22,29)(H,25,26)(H,28,30)
InChIKeyMBCFAUSXISGVAL-UHFFFAOYSA-N
MW407.41 g/mol
LogP2.64
Rot. Bonds6

About 6-cyclopropyl-N-[2-fluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2-fluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548155) has the molecular formula C20H18FN7O2 and a molecular weight of 407.41 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-fluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-fluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548155
Molecular FormulaC20H18FN7O2
Molecular Weight407.41 g/mol
Exact Mass407.15
IUPAC Name6-cyclopropyl-N-[2-fluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1cccc(F)c1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C20H18FN7O2/c1-22-19(29)13-3-2-4-14(21)16(13)28-20(30)17-18(26-12-7-23-10-24-8-12)25-9-15(27-17)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,22,29)(H,25,26)(H,28,30)
InChIKeyMBCFAUSXISGVAL-UHFFFAOYSA-N
XLogP2.64
TPSA121.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)-N-methylbenzamide
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CID 129989
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 11518031
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-fluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548152
6-cyclopropyl-N-[5-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548190
6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548204
3-[4-[[6-Cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]-3-(methylcarbamoyl)phenyl]propanoic acid
CID 58548211

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-fluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-fluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548155) is 6-cyclopropyl-N-[2-fluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-fluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-fluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CNC(=O)c1cccc(F)c1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-fluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is MBCFAUSXISGVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O2/c1-22-19(29)13-3-2-4-14(21)16(13)28-20(30)17-18(26-12-7-23-10-24-8-12)25-9-15(27-17)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,22,29)(H,25,26)(H,28,30).
What are the key properties of 6-cyclopropyl-N-[2-fluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-fluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 407.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-fluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).