3-methoxy-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide

C26H30N6O3S — CID 131636082

IUPAC3-methoxy-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCc2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)ccc1C1CNNC1
InChIInChI=1S/C26H30N6O3S/c1-32-9-8-21-23(15-32)36-26(30-21)31-25(34)17-5-3-4-16(10-17)12-27-24(33)18-6-7-20(22(11-18)35-2)19-13-28-29-14-19/h3-7,10-11,19,28-29H,8-9,12-15H2,1-2H3,(H,27,33)(H,30,31,34)
InChIKeyNMKLIZLRFUVKCL-UHFFFAOYSA-N
MW506.63 g/mol
LogP2.51
Rot. Bonds7

About 3-methoxy-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide

3-methoxy-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide (PubChem CID 131636082) has the molecular formula C26H30N6O3S and a molecular weight of 506.63 g/mol. Its IUPAC name is 3-methoxy-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound Name3-methoxy-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide
PubChem CID131636082
Molecular FormulaC26H30N6O3S
Molecular Weight506.63 g/mol
Exact Mass506.21
IUPAC Name3-methoxy-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCc2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)ccc1C1CNNC1
InChIInChI=1S/C26H30N6O3S/c1-32-9-8-21-23(15-32)36-26(30-21)31-25(34)17-5-3-4-16(10-17)12-27-24(33)18-6-7-20(22(11-18)35-2)19-13-28-29-14-19/h3-7,10-11,19,28-29H,8-9,12-15H2,1-2H3,(H,27,33)(H,30,31,34)
InChIKeyNMKLIZLRFUVKCL-UHFFFAOYSA-N
XLogP2.51
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.63
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-methoxy-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide with MolForge

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Related Compounds

3-methoxy-N-{5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}benzamide
CID 3944789
3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 56597320
3-[(2R)-1-(4-methoxy-3-methylbenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 56597321
4-methoxy-3-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]benzamide
CID 56598840
3,4-dimethoxy-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]benzamide
CID 56598842
3,4-dimethoxy-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pentyl]benzamide
CID 56598976
2-acetamido-N-[(1S)-1-[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 121336069
3-methoxy-4-pyrazolidin-4-yl-N-[[3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylcarbamoyl)phenyl]methyl]benzamide
CID 131636081
2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 130366582
N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131635928
N-[(1S)-2-hydroxy-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-4-methoxy-3-methylbenzamide
CID 134474992
3,4-Dimethoxy-N-[3-(5-methyl-4,5,6,7-tetrahydro-thiazolo[5,4-c]pyridin-2-ylcarbamoyl)-benzyl]-benzamide
CID 25056372

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of 3-methoxy-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide (CID 131636082) is 3-methoxy-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for 3-methoxy-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for 3-methoxy-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide is COc1cc(C(=O)NCc2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)ccc1C1CNNC1.
What is the InChIKey of 3-methoxy-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide?
The InChIKey is NMKLIZLRFUVKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3S/c1-32-9-8-21-23(15-32)36-26(30-21)31-25(34)17-5-3-4-16(10-17)12-27-24(33)18-6-7-20(22(11-18)35-2)19-13-28-29-14-19/h3-7,10-11,19,28-29H,8-9,12-15H2,1-2H3,(H,27,33)(H,30,31,34).
What are the key properties of 3-methoxy-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide?
3-methoxy-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide has a molecular weight of 506.63 g/mol, XLogP of 2.51, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131636082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).