3-[4-morpholin-4-yl-7-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol

C23H27N5O2 — CID 73055728

IUPAC3-[4-morpholin-4-yl-7-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3ncc(CN4CCCCC4)cc3n2)c1
InChIInChI=1S/C23H27N5O2/c29-19-6-4-5-18(14-19)22-25-20-13-17(16-27-7-2-1-3-8-27)15-24-21(20)23(26-22)28-9-11-30-12-10-28/h4-6,13-15,29H,1-3,7-12,16H2
InChIKeyYSPFYDGEGFHFMG-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.22
Rot. Bonds4

About 3-[4-morpholin-4-yl-7-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol

3-[4-morpholin-4-yl-7-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 73055728) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-[4-morpholin-4-yl-7-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-morpholin-4-yl-7-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol
PubChem CID73055728
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name3-[4-morpholin-4-yl-7-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3ncc(CN4CCCCC4)cc3n2)c1
InChIInChI=1S/C23H27N5O2/c29-19-6-4-5-18(14-19)22-25-20-13-17(16-27-7-2-1-3-8-27)15-24-21(20)23(26-22)28-9-11-30-12-10-28/h4-6,13-15,29H,1-3,7-12,16H2
InChIKeyYSPFYDGEGFHFMG-UHFFFAOYSA-N
XLogP3.22
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-morpholin-4-yl-7-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[4-morpholin-4-yl-7-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol (CID 73055728) is 3-[4-morpholin-4-yl-7-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[4-morpholin-4-yl-7-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[4-morpholin-4-yl-7-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol is Oc1cccc(-c2nc(N3CCOCC3)c3ncc(CN4CCCCC4)cc3n2)c1.
What is the InChIKey of 3-[4-morpholin-4-yl-7-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol?
The InChIKey is YSPFYDGEGFHFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c29-19-6-4-5-18(14-19)22-25-20-13-17(16-27-7-2-1-3-8-27)15-24-21(20)23(26-22)28-9-11-30-12-10-28/h4-6,13-15,29H,1-3,7-12,16H2.
What are the key properties of 3-[4-morpholin-4-yl-7-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol?
3-[4-morpholin-4-yl-7-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 405.50 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-morpholin-4-yl-7-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 73055728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).