6-cyclopropyl-N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C20H17F2N7O2 — CID 58548369

IUPAC6-cyclopropyl-N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)ccc(F)c1F
InChIInChI=1S/C20H17F2N7O2/c1-23-19(30)15-13(5-4-12(21)16(15)22)29-20(31)17-18(27-11-6-24-9-25-7-11)26-8-14(28-17)10-2-3-10/h4-10H,2-3H2,1H3,(H,23,30)(H,26,27)(H,29,31)
InChIKeyQDHMOAXJQWJLGM-UHFFFAOYSA-N
MW425.40 g/mol
LogP2.78
Rot. Bonds6

About 6-cyclopropyl-N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548369) has the molecular formula C20H17F2N7O2 and a molecular weight of 425.40 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548369
Molecular FormulaC20H17F2N7O2
Molecular Weight425.40 g/mol
Exact Mass425.14
IUPAC Name6-cyclopropyl-N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)ccc(F)c1F
InChIInChI=1S/C20H17F2N7O2/c1-23-19(30)15-13(5-4-12(21)16(15)22)29-20(31)17-18(27-11-6-24-9-25-7-11)26-8-14(28-17)10-2-3-10/h4-10H,2-3H2,1H3,(H,23,30)(H,26,27)(H,29,31)
InChIKeyQDHMOAXJQWJLGM-UHFFFAOYSA-N
XLogP2.78
TPSA121.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]carbamate
CID 130443053
6-cyclopropyl-N-[6-cyclopropyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548335
6-cyclopropyl-N-[2-(methylcarbamoyl)-4-(2-oxopropyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548341
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3-fluoro-2-(methylcarbamoyl)phenyl]carbamate
CID 130443031
6-cyclopropyl-N-[4-(dimethylcarbamoyl)pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548326
[5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]-2-methylpyrimidin-4-yl] N-methylcarbamate
CID 130443017
N-[4-(azetidine-1-carbonyl)pyrimidin-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548362
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 58548310
6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 123768844
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3-chloro-2-(methylcarbamoyl)phenyl]carbamate
CID 130443187
4-[1-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]ethenylamino]-1-ethyl-N-methylpyrazole-5-carboxamide
CID 130458716
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[2-fluoro-6-(methylcarbamoyl)phenyl]carbamate
CID 130443107

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548369) is 6-cyclopropyl-N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)ccc(F)c1F.
What is the InChIKey of 6-cyclopropyl-N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is QDHMOAXJQWJLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N7O2/c1-23-19(30)15-13(5-4-12(21)16(15)22)29-20(31)17-18(27-11-6-24-9-25-7-11)26-8-14(28-17)10-2-3-10/h4-10H,2-3H2,1H3,(H,23,30)(H,26,27)(H,29,31).
What are the key properties of 6-cyclopropyl-N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 425.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).