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

C26H33N7O4S2 — CID 163271197

IUPACN-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2S)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)N[C@H](C[C@@H]3CCCCN3C)c3cc(NS(=O)(=O)C4CC4)ccn3)s2)n1
InChIInChI=1S/C26H33N7O4S2/c1-3-37-24-16-27-14-22(30-24)23-15-29-26(38-23)25(34)31-21(13-18-6-4-5-11-33(18)2)20-12-17(9-10-28-20)32-39(35,36)19-7-8-19/h9-10,12,14-16,18-19,21H,3-8,11,13H2,1-2H3,(H,28,32)(H,31,34)/t18-,21+/m0/s1
InChIKeyYIMUQPBPYUQYNQ-GHTZIAJQSA-N
MW571.73 g/mol
LogP3.64
Rot. Bonds11

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

N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2S)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 163271197) has the molecular formula C26H33N7O4S2 and a molecular weight of 571.73 g/mol. Its IUPAC name is N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2S)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2S)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
PubChem CID163271197
Molecular FormulaC26H33N7O4S2
Molecular Weight571.73 g/mol
Exact Mass571.20
IUPAC NameN-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2S)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)N[C@H](C[C@@H]3CCCCN3C)c3cc(NS(=O)(=O)C4CC4)ccn3)s2)n1
InChIInChI=1S/C26H33N7O4S2/c1-3-37-24-16-27-14-22(30-24)23-15-29-26(38-23)25(34)31-21(13-18-6-4-5-11-33(18)2)20-12-17(9-10-28-20)32-39(35,36)19-7-8-19/h9-10,12,14-16,18-19,21H,3-8,11,13H2,1-2H3,(H,28,32)(H,31,34)/t18-,21+/m0/s1
InChIKeyYIMUQPBPYUQYNQ-GHTZIAJQSA-N
XLogP3.64
TPSA139.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.73
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2S)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2S)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (CID 163271197) is N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2S)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2S)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2S)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is CCOc1cncc(-c2cnc(C(=O)N[C@H](C[C@@H]3CCCCN3C)c3cc(NS(=O)(=O)C4CC4)ccn3)s2)n1.
What is the InChIKey of N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2S)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is YIMUQPBPYUQYNQ-GHTZIAJQSA-N. The full InChI is InChI=1S/C26H33N7O4S2/c1-3-37-24-16-27-14-22(30-24)23-15-29-26(38-23)25(34)31-21(13-18-6-4-5-11-33(18)2)20-12-17(9-10-28-20)32-39(35,36)19-7-8-19/h9-10,12,14-16,18-19,21H,3-8,11,13H2,1-2H3,(H,28,32)(H,31,34)/t18-,21+/m0/s1.
What are the key properties of N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2S)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2S)-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 3.64, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2S)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 163271197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).