3-[7-(1-methylpyrazol-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol

C20H22N6O2 — CID 24889091

IUPAC3-[7-(1-methylpyrazol-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
SMILESCn1ccc(N2CCc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)n1
InChIInChI=1S/C20H22N6O2/c1-24-7-6-17(23-24)26-8-5-16-18(14-3-2-4-15(27)13-14)21-20(22-19(16)26)25-9-11-28-12-10-25/h2-4,6-7,13,27H,5,8-12H2,1H3
InChIKeyCTIVLWQKYBHXLK-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.11
Rot. Bonds3

About 3-[7-(1-methylpyrazol-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol

3-[7-(1-methylpyrazol-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol (PubChem CID 24889091) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-[7-(1-methylpyrazol-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name3-[7-(1-methylpyrazol-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
PubChem CID24889091
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name3-[7-(1-methylpyrazol-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
SMILESCn1ccc(N2CCc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)n1
InChIInChI=1S/C20H22N6O2/c1-24-7-6-17(23-24)26-8-5-16-18(14-3-2-4-15(27)13-14)21-20(22-19(16)26)25-9-11-28-12-10-25/h2-4,6-7,13,27H,5,8-12H2,1H3
InChIKeyCTIVLWQKYBHXLK-UHFFFAOYSA-N
XLogP2.11
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(1-methylpyrazol-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol?
The IUPAC name of 3-[7-(1-methylpyrazol-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol (CID 24889091) is 3-[7-(1-methylpyrazol-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol.
What is the SMILES notation for 3-[7-(1-methylpyrazol-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol?
The canonical SMILES for 3-[7-(1-methylpyrazol-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol is Cn1ccc(N2CCc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)n1.
What is the InChIKey of 3-[7-(1-methylpyrazol-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol?
The InChIKey is CTIVLWQKYBHXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-24-7-6-17(23-24)26-8-5-16-18(14-3-2-4-15(27)13-14)21-20(22-19(16)26)25-9-11-28-12-10-25/h2-4,6-7,13,27H,5,8-12H2,1H3.
What are the key properties of 3-[7-(1-methylpyrazol-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol?
3-[7-(1-methylpyrazol-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol has a molecular weight of 378.44 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(1-methylpyrazol-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol is sourced from PubChem (CID 24889091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).