N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]thiophene-2-carboxamide

C23H29N5O4S — CID 66589935

IUPACN-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]thiophene-2-carboxamide
SMILESCOc1cc(COc2cc(NC(=O)c3ccc(N4C[C@@H](C)N[C@@H](C)C4)s3)[nH]n2)cc(OC)c1
InChIInChI=1S/C23H29N5O4S/c1-14-11-28(12-15(2)24-14)22-6-5-19(33-22)23(29)25-20-10-21(27-26-20)32-13-16-7-17(30-3)9-18(8-16)31-4/h5-10,14-15,24H,11-13H2,1-4H3,(H2,25,26,27,29)/t14-,15+
InChIKeyZXQKDGVRECCNPW-GASCZTMLSA-N
MW471.58 g/mol
LogP3.51
Rot. Bonds8

About N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]thiophene-2-carboxamide

N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]thiophene-2-carboxamide (PubChem CID 66589935) has the molecular formula C23H29N5O4S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]thiophene-2-carboxamide
PubChem CID66589935
Molecular FormulaC23H29N5O4S
Molecular Weight471.58 g/mol
Exact Mass471.19
IUPAC NameN-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]thiophene-2-carboxamide
SMILESCOc1cc(COc2cc(NC(=O)c3ccc(N4C[C@@H](C)N[C@@H](C)C4)s3)[nH]n2)cc(OC)c1
InChIInChI=1S/C23H29N5O4S/c1-14-11-28(12-15(2)24-14)22-6-5-19(33-22)23(29)25-20-10-21(27-26-20)32-13-16-7-17(30-3)9-18(8-16)31-4/h5-10,14-15,24H,11-13H2,1-4H3,(H2,25,26,27,29)/t14-,15+
InChIKeyZXQKDGVRECCNPW-GASCZTMLSA-N
XLogP3.51
TPSA100.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]thiophene-2-carboxamide 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

N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(4-ethylpiperazin-1-yl)thiophene-2-carboxamide
CID 24962638
N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(3,4-dimethylpiperazin-1-yl)pyrazine-2-carboxamide
CID 66589711
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]benzamide
CID 66589619
4-[5-[[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]thiophen-2-yl]piperazine-1-carboxylic acid
CID 66589737
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3S)-3,5-dimethylpiperazin-1-yl]benzamide
CID 130413665
(3R,4S)-4-[6-[(3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 58006070
N-chloro-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]pyrazine-2-carboxamide
CID 87670209
5-(3-methoxyazetidin-1-yl)thiophene-2-carboxylic acid
CID 130547588
4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 25186143
4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 42602991
5-bromo-N-(3-bromo-5-methoxyphenyl)thiophene-2-carboxamide
CID 82868079
3-[2-[2-[3-[(5R,7R)-5,7-dimethyl-1,3,6-thiadiazepan-3-yl]anilino]pyrimidin-5-yl]ethyl]-5-methoxy-N-methylbenzamide
CID 163851478

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]thiophene-2-carboxamide (CID 66589935) is N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]thiophene-2-carboxamide is COc1cc(COc2cc(NC(=O)c3ccc(N4C[C@@H](C)N[C@@H](C)C4)s3)[nH]n2)cc(OC)c1.
What is the InChIKey of N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]thiophene-2-carboxamide?
The InChIKey is ZXQKDGVRECCNPW-GASCZTMLSA-N. The full InChI is InChI=1S/C23H29N5O4S/c1-14-11-28(12-15(2)24-14)22-6-5-19(33-22)23(29)25-20-10-21(27-26-20)32-13-16-7-17(30-3)9-18(8-16)31-4/h5-10,14-15,24H,11-13H2,1-4H3,(H2,25,26,27,29)/t14-,15+.
What are the key properties of N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]thiophene-2-carboxamide?
N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]thiophene-2-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 3.51, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 66589935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).