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

C23H23N5O2 — CID 168923600

IUPAC1-(2-morpholin-4-yl-4-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCc2c(-c3ccncc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C23H23N5O2/c29-20(16-17-4-2-1-3-5-17)28-11-8-19-21(18-6-9-24-10-7-18)25-23(26-22(19)28)27-12-14-30-15-13-27/h1-7,9-10H,8,11-16H2
InChIKeySYBPOEBTGULIAQ-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.51
Rot. Bonds4

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

1-(2-morpholin-4-yl-4-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanone (PubChem CID 168923600) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-4-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-4-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanone
PubChem CID168923600
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name1-(2-morpholin-4-yl-4-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCc2c(-c3ccncc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C23H23N5O2/c29-20(16-17-4-2-1-3-5-17)28-11-8-19-21(18-6-9-24-10-7-18)25-23(26-22(19)28)27-12-14-30-15-13-27/h1-7,9-10H,8,11-16H2
InChIKeySYBPOEBTGULIAQ-UHFFFAOYSA-N
XLogP2.51
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-yl-4-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanone?
The IUPAC name of 1-(2-morpholin-4-yl-4-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanone (CID 168923600) is 1-(2-morpholin-4-yl-4-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanone.
What is the SMILES notation for 1-(2-morpholin-4-yl-4-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanone?
The canonical SMILES for 1-(2-morpholin-4-yl-4-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanone is O=C(Cc1ccccc1)N1CCc2c(-c3ccncc3)nc(N3CCOCC3)nc21.
What is the InChIKey of 1-(2-morpholin-4-yl-4-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanone?
The InChIKey is SYBPOEBTGULIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c29-20(16-17-4-2-1-3-5-17)28-11-8-19-21(18-6-9-24-10-7-18)25-23(26-22(19)28)27-12-14-30-15-13-27/h1-7,9-10H,8,11-16H2.
What are the key properties of 1-(2-morpholin-4-yl-4-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanone?
1-(2-morpholin-4-yl-4-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanone has a molecular weight of 401.47 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-4-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanone is sourced from PubChem (CID 168923600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).