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

C22H23N5O2 — CID 24889090

IUPAC3-[7-(2-methyl-4-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
SMILESCc1cc(N2CCc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)ccn1
InChIInChI=1S/C22H23N5O2/c1-15-13-17(5-7-23-15)27-8-6-19-20(16-3-2-4-18(28)14-16)24-22(25-21(19)27)26-9-11-29-12-10-26/h2-5,7,13-14,28H,6,8-12H2,1H3
InChIKeyJDXVAKJTFLYUKV-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.08
Rot. Bonds3

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

3-[7-(2-methyl-4-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol (PubChem CID 24889090) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-[7-(2-methyl-4-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name3-[7-(2-methyl-4-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
PubChem CID24889090
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name3-[7-(2-methyl-4-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
SMILESCc1cc(N2CCc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)ccn1
InChIInChI=1S/C22H23N5O2/c1-15-13-17(5-7-23-15)27-8-6-19-20(16-3-2-4-18(28)14-16)24-22(25-21(19)27)26-9-11-29-12-10-26/h2-5,7,13-14,28H,6,8-12H2,1H3
InChIKeyJDXVAKJTFLYUKV-UHFFFAOYSA-N
XLogP3.08
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(2-methyl-4-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol?
The IUPAC name of 3-[7-(2-methyl-4-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol (CID 24889090) is 3-[7-(2-methyl-4-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol.
What is the SMILES notation for 3-[7-(2-methyl-4-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol?
The canonical SMILES for 3-[7-(2-methyl-4-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol is Cc1cc(N2CCc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)ccn1.
What is the InChIKey of 3-[7-(2-methyl-4-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol?
The InChIKey is JDXVAKJTFLYUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15-13-17(5-7-23-15)27-8-6-19-20(16-3-2-4-18(28)14-16)24-22(25-21(19)27)26-9-11-29-12-10-26/h2-5,7,13-14,28H,6,8-12H2,1H3.
What are the key properties of 3-[7-(2-methyl-4-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol?
3-[7-(2-methyl-4-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol has a molecular weight of 389.46 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(2-methyl-4-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol is sourced from PubChem (CID 24889090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).