(1R)-1-[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol

C23H28N4O — CID 97203919

IUPAC(1R)-1-[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol
SMILESCc1cc(C)c2c(N3CCC([C@H](O)CCc4ccccc4)CC3)ncnc2n1
InChIInChI=1S/C23H28N4O/c1-16-14-17(2)26-22-21(16)23(25-15-24-22)27-12-10-19(11-13-27)20(28)9-8-18-6-4-3-5-7-18/h3-7,14-15,19-20,28H,8-13H2,1-2H3/t20-/m1/s1
InChIKeyVOXPWQISSSRYRC-HXUWFJFHSA-N
MW376.50 g/mol
LogP3.85
Rot. Bonds5

About (1R)-1-[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol

(1R)-1-[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol (PubChem CID 97203919) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is (1R)-1-[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol
PubChem CID97203919
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name(1R)-1-[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol
SMILESCc1cc(C)c2c(N3CCC([C@H](O)CCc4ccccc4)CC3)ncnc2n1
InChIInChI=1S/C23H28N4O/c1-16-14-17(2)26-22-21(16)23(25-15-24-22)27-12-10-19(11-13-27)20(28)9-8-18-6-4-3-5-7-18/h3-7,14-15,19-20,28H,8-13H2,1-2H3/t20-/m1/s1
InChIKeyVOXPWQISSSRYRC-HXUWFJFHSA-N
XLogP3.85
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol?
The IUPAC name of (1R)-1-[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol (CID 97203919) is (1R)-1-[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol.
What is the SMILES notation for (1R)-1-[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol?
The canonical SMILES for (1R)-1-[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol is Cc1cc(C)c2c(N3CCC([C@H](O)CCc4ccccc4)CC3)ncnc2n1.
What is the InChIKey of (1R)-1-[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol?
The InChIKey is VOXPWQISSSRYRC-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28N4O/c1-16-14-17(2)26-22-21(16)23(25-15-24-22)27-12-10-19(11-13-27)20(28)9-8-18-6-4-3-5-7-18/h3-7,14-15,19-20,28H,8-13H2,1-2H3/t20-/m1/s1.
What are the key properties of (1R)-1-[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol?
(1R)-1-[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol has a molecular weight of 376.50 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol is sourced from PubChem (CID 97203919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).