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

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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).