5-[4-(2-hydroxyethyl)piperidin-1-yl]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

C23H29N5O3 — CID 66958935

IUPAC5-[4-(2-hydroxyethyl)piperidin-1-yl]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CCC(CCO)CC3)c2c1=O
InChIInChI=1S/C23H29N5O3/c1-23(2,31)19-5-4-16(13-24-19)17-12-18-20(22(30)27(3)14-25-18)21(26-17)28-9-6-15(7-10-28)8-11-29/h4-5,12-15,29,31H,6-11H2,1-3H3
InChIKeyPWHOWCYEDYRHCP-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.22
Rot. Bonds5

About 5-[4-(2-hydroxyethyl)piperidin-1-yl]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

5-[4-(2-hydroxyethyl)piperidin-1-yl]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66958935) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 5-[4-(2-hydroxyethyl)piperidin-1-yl]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[4-(2-hydroxyethyl)piperidin-1-yl]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66958935
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name5-[4-(2-hydroxyethyl)piperidin-1-yl]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CCC(CCO)CC3)c2c1=O
InChIInChI=1S/C23H29N5O3/c1-23(2,31)19-5-4-16(13-24-19)17-12-18-20(22(30)27(3)14-25-18)21(26-17)28-9-6-15(7-10-28)8-11-29/h4-5,12-15,29,31H,6-11H2,1-3H3
InChIKeyPWHOWCYEDYRHCP-UHFFFAOYSA-N
XLogP2.22
TPSA104.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxyethyl)piperidin-1-yl]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-[4-(2-hydroxyethyl)piperidin-1-yl]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66958935) is 5-[4-(2-hydroxyethyl)piperidin-1-yl]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[4-(2-hydroxyethyl)piperidin-1-yl]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[4-(2-hydroxyethyl)piperidin-1-yl]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CCC(CCO)CC3)c2c1=O.
What is the InChIKey of 5-[4-(2-hydroxyethyl)piperidin-1-yl]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is PWHOWCYEDYRHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-23(2,31)19-5-4-16(13-24-19)17-12-18-20(22(30)27(3)14-25-18)21(26-17)28-9-6-15(7-10-28)8-11-29/h4-5,12-15,29,31H,6-11H2,1-3H3.
What are the key properties of 5-[4-(2-hydroxyethyl)piperidin-1-yl]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-[4-(2-hydroxyethyl)piperidin-1-yl]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 423.52 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxyethyl)piperidin-1-yl]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66958935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).