N,N-dimethyl-2-[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl]acetamide

C16H22N4O3S — CID 134072088

IUPACN,N-dimethyl-2-[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl]acetamide
SMILESCc1nc(COCC2OCCc3cn(CC(=O)N(C)C)nc32)cs1
InChIInChI=1S/C16H22N4O3S/c1-11-17-13(10-24-11)8-22-9-14-16-12(4-5-23-14)6-20(18-16)7-15(21)19(2)3/h6,10,14H,4-5,7-9H2,1-3H3
InChIKeyYVVFKBUAWOWYDP-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.57
Rot. Bonds6

About N,N-dimethyl-2-[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl]acetamide

N,N-dimethyl-2-[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl]acetamide (PubChem CID 134072088) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl]acetamide
PubChem CID134072088
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN,N-dimethyl-2-[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl]acetamide
SMILESCc1nc(COCC2OCCc3cn(CC(=O)N(C)C)nc32)cs1
InChIInChI=1S/C16H22N4O3S/c1-11-17-13(10-24-11)8-22-9-14-16-12(4-5-23-14)6-20(18-16)7-15(21)19(2)3/h6,10,14H,4-5,7-9H2,1-3H3
InChIKeyYVVFKBUAWOWYDP-UHFFFAOYSA-N
XLogP1.57
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-2-[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 118744367
[1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 118744689
1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 118745895
N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155842250
2-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2,2,2-trifluoroacetic acid
CID 155864453
[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 131649740
[7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 131654857
[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 155901571
(7S)-2-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
CID 97367742
(7R)-2-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
CID 97367743
N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide
CID 97367798
N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide
CID 97367799

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl]acetamide (CID 134072088) is N,N-dimethyl-2-[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl]acetamide is Cc1nc(COCC2OCCc3cn(CC(=O)N(C)C)nc32)cs1.
What is the InChIKey of N,N-dimethyl-2-[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl]acetamide?
The InChIKey is YVVFKBUAWOWYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-11-17-13(10-24-11)8-22-9-14-16-12(4-5-23-14)6-20(18-16)7-15(21)19(2)3/h6,10,14H,4-5,7-9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl]acetamide?
N,N-dimethyl-2-[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl]acetamide has a molecular weight of 350.44 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl]acetamide is sourced from PubChem (CID 134072088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).