N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]indazole-3-carboxamide

C19H21N5O4S — CID 170602871

IUPACN-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]indazole-3-carboxamide
SMILESCc1ncsc1COc1ccc2nn(C)c(C(=O)NC3(CO)CCNC3=O)c2c1
InChIInChI=1S/C19H21N5O4S/c1-11-15(29-10-21-11)8-28-12-3-4-14-13(7-12)16(24(2)23-14)17(26)22-19(9-25)5-6-20-18(19)27/h3-4,7,10,25H,5-6,8-9H2,1-2H3,(H,20,27)(H,22,26)
InChIKeyDOVCYHQOFUHVAR-UHFFFAOYSA-N
MW415.48 g/mol
LogP0.90
Rot. Bonds6

About N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]indazole-3-carboxamide

N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]indazole-3-carboxamide (PubChem CID 170602871) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]indazole-3-carboxamide
PubChem CID170602871
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC NameN-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]indazole-3-carboxamide
SMILESCc1ncsc1COc1ccc2nn(C)c(C(=O)NC3(CO)CCNC3=O)c2c1
InChIInChI=1S/C19H21N5O4S/c1-11-15(29-10-21-11)8-28-12-3-4-14-13(7-12)16(24(2)23-14)17(26)22-19(9-25)5-6-20-18(19)27/h3-4,7,10,25H,5-6,8-9H2,1-2H3,(H,20,27)(H,22,26)
InChIKeyDOVCYHQOFUHVAR-UHFFFAOYSA-N
XLogP0.90
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]indazole-3-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]indazole-3-carboxamide (CID 170602871) is N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]indazole-3-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]indazole-3-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]indazole-3-carboxamide is Cc1ncsc1COc1ccc2nn(C)c(C(=O)NC3(CO)CCNC3=O)c2c1.
What is the InChIKey of N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]indazole-3-carboxamide?
The InChIKey is DOVCYHQOFUHVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-11-15(29-10-21-11)8-28-12-3-4-14-13(7-12)16(24(2)23-14)17(26)22-19(9-25)5-6-20-18(19)27/h3-4,7,10,25H,5-6,8-9H2,1-2H3,(H,20,27)(H,22,26).
What are the key properties of N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]indazole-3-carboxamide?
N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]indazole-3-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]indazole-3-carboxamide is sourced from PubChem (CID 170602871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).