1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4,4-difluorocyclohexane-1-carboxamide

C25H27F2N7O4S — CID 155379084

IUPAC1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4,4-difluorocyclohexane-1-carboxamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCC(F)(F)CC3)nc2)n1
InChIInChI=1S/C25H27F2N7O4S/c1-2-38-21-15-28-14-18(31-21)16-3-6-20(30-13-16)33-22(35)24(8-10-25(26,27)11-9-24)19-7-12-29-23(32-19)34-39(36,37)17-4-5-17/h3,6-7,12-15,17H,2,4-5,8-11H2,1H3,(H,29,32,34)(H,30,33,35)
InChIKeyCPARTBMQYFQWKL-UHFFFAOYSA-N
MW559.60 g/mol
LogP3.72
Rot. Bonds9

About 1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4,4-difluorocyclohexane-1-carboxamide

1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 155379084) has the molecular formula C25H27F2N7O4S and a molecular weight of 559.60 g/mol. Its IUPAC name is 1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4,4-difluorocyclohexane-1-carboxamide
PubChem CID155379084
Molecular FormulaC25H27F2N7O4S
Molecular Weight559.60 g/mol
Exact Mass559.18
IUPAC Name1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4,4-difluorocyclohexane-1-carboxamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCC(F)(F)CC3)nc2)n1
InChIInChI=1S/C25H27F2N7O4S/c1-2-38-21-15-28-14-18(31-21)16-3-6-20(30-13-16)33-22(35)24(8-10-25(26,27)11-9-24)19-7-12-29-23(32-19)34-39(36,37)17-4-5-17/h3,6-7,12-15,17H,2,4-5,8-11H2,1H3,(H,29,32,34)(H,30,33,35)
InChIKeyCPARTBMQYFQWKL-UHFFFAOYSA-N
XLogP3.72
TPSA148.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.60
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4,4-difluorocyclohexane-1-carboxamide with MolForge

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Related Compounds

4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]thiane-4-carboxamide
CID 155733875
4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-methylpiperidine-4-carboxamide
CID 155375706
4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 155375770
N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-[2-(propan-2-ylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide
CID 167289449
N-[5-(6-cyclopropylpyrazin-2-yl)-2-pyridinyl]-4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide
CID 155368534
tert-butyl 4-[4-(cyclopropylsulfonylamino)pyrimidin-2-yl]-4-[[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 155375695
3-[6-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 177175406
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-methoxybutanamide
CID 139510069
N-[4-[4-[1-[[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]amino]ethenyl]oxan-4-yl]pyrimidin-2-yl]ethanesulfonamide
CID 174368352
(2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide
CID 163271844
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]butanamide
CID 139503423
4-[2-(cyclopentylsulfonylamino)pyrimidin-4-yl]-3-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]oxane-4-carboxamide
CID 177370838

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of 1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4,4-difluorocyclohexane-1-carboxamide (CID 155379084) is 1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for 1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for 1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4,4-difluorocyclohexane-1-carboxamide is CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCC(F)(F)CC3)nc2)n1.
What is the InChIKey of 1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is CPARTBMQYFQWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N7O4S/c1-2-38-21-15-28-14-18(31-21)16-3-6-20(30-13-16)33-22(35)24(8-10-25(26,27)11-9-24)19-7-12-29-23(32-19)34-39(36,37)17-4-5-17/h3,6-7,12-15,17H,2,4-5,8-11H2,1H3,(H,29,32,34)(H,30,33,35).
What are the key properties of 1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4,4-difluorocyclohexane-1-carboxamide?
1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 559.60 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 155379084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).