4-phenoxy-2-piperidin-1-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C24H27N5O — CID 46072511

IUPAC4-phenoxy-2-piperidin-1-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1ccc(Oc2nc(N3CCCCC3)nc3c2CN(Cc2cccnc2)CC3)cc1
InChIInChI=1S/C24H27N5O/c1-3-9-20(10-4-1)30-23-21-18-28(17-19-8-7-12-25-16-19)15-11-22(21)26-24(27-23)29-13-5-2-6-14-29/h1,3-4,7-10,12,16H,2,5-6,11,13-15,17-18H2
InChIKeyRIZQMYRTVLVYFS-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.21
Rot. Bonds5

About 4-phenoxy-2-piperidin-1-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-phenoxy-2-piperidin-1-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 46072511) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-phenoxy-2-piperidin-1-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-phenoxy-2-piperidin-1-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID46072511
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name4-phenoxy-2-piperidin-1-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1ccc(Oc2nc(N3CCCCC3)nc3c2CN(Cc2cccnc2)CC3)cc1
InChIInChI=1S/C24H27N5O/c1-3-9-20(10-4-1)30-23-21-18-28(17-19-8-7-12-25-16-19)15-11-22(21)26-24(27-23)29-13-5-2-6-14-29/h1,3-4,7-10,12,16H,2,5-6,11,13-15,17-18H2
InChIKeyRIZQMYRTVLVYFS-UHFFFAOYSA-N
XLogP4.21
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-2-piperidin-1-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-phenoxy-2-piperidin-1-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 46072511) is 4-phenoxy-2-piperidin-1-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-phenoxy-2-piperidin-1-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-phenoxy-2-piperidin-1-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1ccc(Oc2nc(N3CCCCC3)nc3c2CN(Cc2cccnc2)CC3)cc1.
What is the InChIKey of 4-phenoxy-2-piperidin-1-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is RIZQMYRTVLVYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-3-9-20(10-4-1)30-23-21-18-28(17-19-8-7-12-25-16-19)15-11-22(21)26-24(27-23)29-13-5-2-6-14-29/h1,3-4,7-10,12,16H,2,5-6,11,13-15,17-18H2.
What are the key properties of 4-phenoxy-2-piperidin-1-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-phenoxy-2-piperidin-1-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 401.51 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-2-piperidin-1-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 46072511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).