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

C20H16N6O2 — CID 137139958

IUPACN-[5-(furan-3-yl)-2-methoxyphenyl]-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2ccoc2)cc1Nc1ncnc2[nH]cc(-c3ccn[nH]3)c12
InChIInChI=1S/C20H16N6O2/c1-27-17-3-2-12(13-5-7-28-10-13)8-16(17)25-20-18-14(15-4-6-24-26-15)9-21-19(18)22-11-23-20/h2-11H,1H3,(H,24,26)(H2,21,22,23,25)
InChIKeyQNEUBKZNMWDVMS-UHFFFAOYSA-N
MW372.39 g/mol
LogP4.36
Rot. Bonds5

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

N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 137139958) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[5-(furan-3-yl)-2-methoxyphenyl]-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID137139958
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC NameN-[5-(furan-3-yl)-2-methoxyphenyl]-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2ccoc2)cc1Nc1ncnc2[nH]cc(-c3ccn[nH]3)c12
InChIInChI=1S/C20H16N6O2/c1-27-17-3-2-12(13-5-7-28-10-13)8-16(17)25-20-18-14(15-4-6-24-26-15)9-21-19(18)22-11-23-20/h2-11H,1H3,(H,24,26)(H2,21,22,23,25)
InChIKeyQNEUBKZNMWDVMS-UHFFFAOYSA-N
XLogP4.36
TPSA104.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 137139958) is N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1ccc(-c2ccoc2)cc1Nc1ncnc2[nH]cc(-c3ccn[nH]3)c12.
What is the InChIKey of N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QNEUBKZNMWDVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c1-27-17-3-2-12(13-5-7-28-10-13)8-16(17)25-20-18-14(15-4-6-24-26-15)9-21-19(18)22-11-23-20/h2-11H,1H3,(H,24,26)(H2,21,22,23,25).
What are the key properties of N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 372.39 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 137139958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).