N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide

C18H27N5O4S — CID 127035595

IUPACN-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)NCC3CCN(CCNS(C)(=O)=O)CC3)c2c1
InChIInChI=1S/C18H27N5O4S/c1-27-14-3-4-16-15(11-14)17(22-21-16)18(24)19-12-13-5-8-23(9-6-13)10-7-20-28(2,25)26/h3-4,11,13,20H,5-10,12H2,1-2H3,(H,19,24)(H,21,22)
InChIKeyYTCRLBWNALTVAV-UHFFFAOYSA-N
MW409.51 g/mol
LogP0.56
Rot. Bonds8

About N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide

N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide (PubChem CID 127035595) has the molecular formula C18H27N5O4S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide
PubChem CID127035595
Molecular FormulaC18H27N5O4S
Molecular Weight409.51 g/mol
Exact Mass409.18
IUPAC NameN-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)NCC3CCN(CCNS(C)(=O)=O)CC3)c2c1
InChIInChI=1S/C18H27N5O4S/c1-27-14-3-4-16-15(11-14)17(22-21-16)18(24)19-12-13-5-8-23(9-6-13)10-7-20-28(2,25)26/h3-4,11,13,20H,5-10,12H2,1-2H3,(H,19,24)(H,21,22)
InChIKeyYTCRLBWNALTVAV-UHFFFAOYSA-N
XLogP0.56
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide?
The IUPAC name of N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide (CID 127035595) is N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide is COc1ccc2[nH]nc(C(=O)NCC3CCN(CCNS(C)(=O)=O)CC3)c2c1.
What is the InChIKey of N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide?
The InChIKey is YTCRLBWNALTVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4S/c1-27-14-3-4-16-15(11-14)17(22-21-16)18(24)19-12-13-5-8-23(9-6-13)10-7-20-28(2,25)26/h3-4,11,13,20H,5-10,12H2,1-2H3,(H,19,24)(H,21,22).
What are the key properties of N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide?
N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 0.56, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide is sourced from PubChem (CID 127035595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).