N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide

C24H27N7O4S2 — CID 44540863

IUPACN-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ncc(-c2cc(NC(=O)c3csc(CN4CCCCC4)n3)c3cn[nH]c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C24H27N7O4S2/c1-35-24-20(30-37(2,33)34)10-16(11-25-24)15-8-18(17-12-26-29-19(17)9-15)28-23(32)21-14-36-22(27-21)13-31-6-4-3-5-7-31/h8-12,14,30H,3-7,13H2,1-2H3,(H,26,29)(H,28,32)
InChIKeyLYYXKNCVWLDDLH-UHFFFAOYSA-N
MW541.66 g/mol
LogP3.70
Rot. Bonds8

About N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide

N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 44540863) has the molecular formula C24H27N7O4S2 and a molecular weight of 541.66 g/mol. Its IUPAC name is N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID44540863
Molecular FormulaC24H27N7O4S2
Molecular Weight541.66 g/mol
Exact Mass541.16
IUPAC NameN-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ncc(-c2cc(NC(=O)c3csc(CN4CCCCC4)n3)c3cn[nH]c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C24H27N7O4S2/c1-35-24-20(30-37(2,33)34)10-16(11-25-24)15-8-18(17-12-26-29-19(17)9-15)28-23(32)21-14-36-22(27-21)13-31-6-4-3-5-7-31/h8-12,14,30H,3-7,13H2,1-2H3,(H,26,29)(H,28,32)
InChIKeyLYYXKNCVWLDDLH-UHFFFAOYSA-N
XLogP3.70
TPSA142.20 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.66
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide (CID 44540863) is N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide is COc1ncc(-c2cc(NC(=O)c3csc(CN4CCCCC4)n3)c3cn[nH]c3c2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LYYXKNCVWLDDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O4S2/c1-35-24-20(30-37(2,33)34)10-16(11-25-24)15-8-18(17-12-26-29-19(17)9-15)28-23(32)21-14-36-22(27-21)13-31-6-4-3-5-7-31/h8-12,14,30H,3-7,13H2,1-2H3,(H,26,29)(H,28,32).
What are the key properties of N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide?
N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 541.66 g/mol, XLogP of 3.70, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 44540863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).