4-[4-(3-methoxyphenyl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine

C22H23N5O2 — CID 59244510

IUPAC4-[4-(3-methoxyphenyl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
SMILESCOc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)c1
InChIInChI=1S/C22H23N5O2/c1-28-18-4-2-3-16(15-18)20-19-7-10-27(17-5-8-23-9-6-17)21(19)25-22(24-20)26-11-13-29-14-12-26/h2-6,8-9,15H,7,10-14H2,1H3
InChIKeyGUXOLUXVTDWVQY-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.08
Rot. Bonds4

About 4-[4-(3-methoxyphenyl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine

4-[4-(3-methoxyphenyl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 59244510) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenyl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3-methoxyphenyl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
PubChem CID59244510
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name4-[4-(3-methoxyphenyl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
SMILESCOc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)c1
InChIInChI=1S/C22H23N5O2/c1-28-18-4-2-3-16(15-18)20-19-7-10-27(17-5-8-23-9-6-17)21(19)25-22(24-20)26-11-13-29-14-12-26/h2-6,8-9,15H,7,10-14H2,1H3
InChIKeyGUXOLUXVTDWVQY-UHFFFAOYSA-N
XLogP3.08
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenyl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(3-methoxyphenyl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine (CID 59244510) is 4-[4-(3-methoxyphenyl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(3-methoxyphenyl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(3-methoxyphenyl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine is COc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)c1.
What is the InChIKey of 4-[4-(3-methoxyphenyl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is GUXOLUXVTDWVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-28-18-4-2-3-16(15-18)20-19-7-10-27(17-5-8-23-9-6-17)21(19)25-22(24-20)26-11-13-29-14-12-26/h2-6,8-9,15H,7,10-14H2,1H3.
What are the key properties of 4-[4-(3-methoxyphenyl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
4-[4-(3-methoxyphenyl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 389.46 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxyphenyl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 59244510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).