N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C20H16N6OS — CID 137245110

IUPACN-(2-methoxy-5-thiophen-2-ylphenyl)-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2cccs2)cc1Nc1ncnc2[nH]cc(-c3ccn[nH]3)c12
InChIInChI=1S/C20H16N6OS/c1-27-16-5-4-12(17-3-2-8-28-17)9-15(16)25-20-18-13(14-6-7-24-26-14)10-21-19(18)22-11-23-20/h2-11H,1H3,(H,24,26)(H2,21,22,23,25)
InChIKeyMDHQPPCLXIVCFQ-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.83
Rot. Bonds5

About N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 137245110) has the molecular formula C20H16N6OS and a molecular weight of 388.46 g/mol. Its IUPAC name is N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-thiophen-2-ylphenyl)-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID137245110
Molecular FormulaC20H16N6OS
Molecular Weight388.46 g/mol
Exact Mass388.11
IUPAC NameN-(2-methoxy-5-thiophen-2-ylphenyl)-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2cccs2)cc1Nc1ncnc2[nH]cc(-c3ccn[nH]3)c12
InChIInChI=1S/C20H16N6OS/c1-27-16-5-4-12(17-3-2-8-28-17)9-15(16)25-20-18-13(14-6-7-24-26-14)10-21-19(18)22-11-23-20/h2-11H,1H3,(H,24,26)(H2,21,22,23,25)
InChIKeyMDHQPPCLXIVCFQ-UHFFFAOYSA-N
XLogP4.83
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-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

N-(6-methoxy-1H-indazol-5-yl)-2-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 168292343
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
N-(2-phenoxyethyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 49778155
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
2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 49795660
US9669028, 183 3-(2-methoxyphenyl)-5-(thiophen-3-yl)-1H-pyrazolo[3,4-b]pyridine
CID 66556444
2-Benzyl-N-(6-methoxy-1H-indazol-5-yl)[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 78321821
(2S)-4-methyl-1-[[5-[3-(5-thiophen-3-yl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]pentan-2-amine
CID 178318995

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 137245110) is N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1ccc(-c2cccs2)cc1Nc1ncnc2[nH]cc(-c3ccn[nH]3)c12.
What is the InChIKey of N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is MDHQPPCLXIVCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6OS/c1-27-16-5-4-12(17-3-2-8-28-17)9-15(16)25-20-18-13(14-6-7-24-26-14)10-21-19(18)22-11-23-20/h2-11H,1H3,(H,24,26)(H2,21,22,23,25).
What are the key properties of N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 388.46 g/mol, XLogP of 4.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 137245110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).