N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C20H17N7OS — CID 137245125

IUPACN-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2sccc2C)cc1Nc1ncnc2n[nH]c(-c3cn[nH]c3)c12
InChIInChI=1S/C20H17N7OS/c1-11-5-6-29-18(11)12-3-4-15(28-2)14(7-12)25-19-16-17(13-8-23-24-9-13)26-27-20(16)22-10-21-19/h3-10H,1-2H3,(H,23,24)(H2,21,22,25,26,27)
InChIKeyZIWXHQFHNBFCTM-UHFFFAOYSA-N
MW403.47 g/mol
LogP4.53
Rot. Bonds5

About N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 137245125) has the molecular formula C20H17N7OS and a molecular weight of 403.47 g/mol. Its IUPAC name is N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID137245125
Molecular FormulaC20H17N7OS
Molecular Weight403.47 g/mol
Exact Mass403.12
IUPAC NameN-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2sccc2C)cc1Nc1ncnc2n[nH]c(-c3cn[nH]c3)c12
InChIInChI=1S/C20H17N7OS/c1-11-5-6-29-18(11)12-3-4-15(28-2)14(7-12)25-19-16-17(13-8-23-24-9-13)26-27-20(16)22-10-21-19/h3-10H,1-2H3,(H,23,24)(H2,21,22,25,26,27)
InChIKeyZIWXHQFHNBFCTM-UHFFFAOYSA-N
XLogP4.53
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine 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

6-(4-Methoxyphenyl)-5-methyl-3-(3-thienyl)pyrazolo[1,5-a]pyrimidin-7-ylamine
CID 1481773
N-(2-methoxyphenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
CID 58189587
N-(2-methoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 68291375
1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866553
N-(2-phenoxyethyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 49778155
N-[2-methoxy-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide
CID 44590640
N-(2-methoxyphenyl)-8-methyl-9-thiophen-3-yl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
CID 68059613
5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137038094
N,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137087491
6-(4-Methoxyphenyl)-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24894505
2-(3-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 49790461
2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 49795660

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 137245125) is N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(-c2sccc2C)cc1Nc1ncnc2n[nH]c(-c3cn[nH]c3)c12.
What is the InChIKey of N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZIWXHQFHNBFCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7OS/c1-11-5-6-29-18(11)12-3-4-15(28-2)14(7-12)25-19-16-17(13-8-23-24-9-13)26-27-20(16)22-10-21-19/h3-10H,1-2H3,(H,23,24)(H2,21,22,25,26,27).
What are the key properties of N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 403.47 g/mol, XLogP of 4.53, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 137245125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).