4-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-1H-pyridin-2-one

C21H21N5O3 — CID 59244739

IUPAC4-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-1H-pyridin-2-one
SMILESO=c1cc(N2CCc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)cc[nH]1
InChIInChI=1S/C21H21N5O3/c27-16-3-1-2-14(12-16)19-17-5-7-26(15-4-6-22-18(28)13-15)20(17)24-21(23-19)25-8-10-29-11-9-25/h1-4,6,12-13,27H,5,7-11H2,(H,22,28)
InChIKeyMPGSAKLNSHVDOJ-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.07
Rot. Bonds3

About 4-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-1H-pyridin-2-one

4-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-1H-pyridin-2-one (PubChem CID 59244739) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-1H-pyridin-2-one
PubChem CID59244739
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name4-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-1H-pyridin-2-one
SMILESO=c1cc(N2CCc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)cc[nH]1
InChIInChI=1S/C21H21N5O3/c27-16-3-1-2-14(12-16)19-17-5-7-26(15-4-6-22-18(28)13-15)20(17)24-21(23-19)25-8-10-29-11-9-25/h1-4,6,12-13,27H,5,7-11H2,(H,22,28)
InChIKeyMPGSAKLNSHVDOJ-UHFFFAOYSA-N
XLogP2.07
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-1H-pyridin-2-one (CID 59244739) is 4-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-1H-pyridin-2-one is O=c1cc(N2CCc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)cc[nH]1.
What is the InChIKey of 4-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-1H-pyridin-2-one?
The InChIKey is MPGSAKLNSHVDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c27-16-3-1-2-14(12-16)19-17-5-7-26(15-4-6-22-18(28)13-15)20(17)24-21(23-19)25-8-10-29-11-9-25/h1-4,6,12-13,27H,5,7-11H2,(H,22,28).
What are the key properties of 4-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-1H-pyridin-2-one?
4-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-1H-pyridin-2-one has a molecular weight of 391.43 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-1H-pyridin-2-one is sourced from PubChem (CID 59244739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).