4-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

C26H33N7O4S2 — CID 167386349

IUPAC4-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2sc(C(N)=O)nc2[C@@H](C[C@H]2CCCCN2C)c2cc(NS(=O)(=O)C3CC3)ccn2)n1
InChIInChI=1S/C26H33N7O4S2/c1-3-37-22-15-28-14-21(30-22)24-23(31-26(38-24)25(27)34)19(13-17-6-4-5-11-33(17)2)20-12-16(9-10-29-20)32-39(35,36)18-7-8-18/h9-10,12,14-15,17-19H,3-8,11,13H2,1-2H3,(H2,27,34)(H,29,32)/t17-,19+/m1/s1
InChIKeyLDIBVQHJVHTPHD-MJGOQNOKSA-N
MW571.73 g/mol
LogP3.40
Rot. Bonds11

About 4-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

4-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 167386349) has the molecular formula C26H33N7O4S2 and a molecular weight of 571.73 g/mol. Its IUPAC name is 4-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
PubChem CID167386349
Molecular FormulaC26H33N7O4S2
Molecular Weight571.73 g/mol
Exact Mass571.20
IUPAC Name4-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2sc(C(N)=O)nc2[C@@H](C[C@H]2CCCCN2C)c2cc(NS(=O)(=O)C3CC3)ccn2)n1
InChIInChI=1S/C26H33N7O4S2/c1-3-37-22-15-28-14-21(30-22)24-23(31-26(38-24)25(27)34)19(13-17-6-4-5-11-33(17)2)20-12-16(9-10-29-20)32-39(35,36)18-7-8-18/h9-10,12,14-15,17-19H,3-8,11,13H2,1-2H3,(H2,27,34)(H,29,32)/t17-,19+/m1/s1
InChIKeyLDIBVQHJVHTPHD-MJGOQNOKSA-N
XLogP3.40
TPSA153.29 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.73
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (CID 167386349) is 4-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is CCOc1cncc(-c2sc(C(N)=O)nc2[C@@H](C[C@H]2CCCCN2C)c2cc(NS(=O)(=O)C3CC3)ccn2)n1.
What is the InChIKey of 4-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is LDIBVQHJVHTPHD-MJGOQNOKSA-N. The full InChI is InChI=1S/C26H33N7O4S2/c1-3-37-22-15-28-14-21(30-22)24-23(31-26(38-24)25(27)34)19(13-17-6-4-5-11-33(17)2)20-12-16(9-10-29-20)32-39(35,36)18-7-8-18/h9-10,12,14-15,17-19H,3-8,11,13H2,1-2H3,(H2,27,34)(H,29,32)/t17-,19+/m1/s1.
What are the key properties of 4-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
4-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 571.73 g/mol, XLogP of 3.40, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 167386349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).