(2,4-dihydroxy-5-propan-2-ylphenyl)-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

C22H28N4O3 — CID 141420014

IUPAC(2,4-dihydroxy-5-propan-2-ylphenyl)-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCc3nc(C4CCCCN4)ncc3C2)c(O)cc1O
InChIInChI=1S/C22H28N4O3/c1-13(2)15-9-16(20(28)10-19(15)27)22(29)26-8-6-17-14(12-26)11-24-21(25-17)18-5-3-4-7-23-18/h9-11,13,18,23,27-28H,3-8,12H2,1-2H3
InChIKeyPNKSKQAMOHRILX-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.02
Rot. Bonds3

About (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

(2,4-dihydroxy-5-propan-2-ylphenyl)-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (PubChem CID 141420014) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(2,4-dihydroxy-5-propan-2-ylphenyl)-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
PubChem CID141420014
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name(2,4-dihydroxy-5-propan-2-ylphenyl)-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCc3nc(C4CCCCN4)ncc3C2)c(O)cc1O
InChIInChI=1S/C22H28N4O3/c1-13(2)15-9-16(20(28)10-19(15)27)22(29)26-8-6-17-14(12-26)11-24-21(25-17)18-5-3-4-7-23-18/h9-11,13,18,23,27-28H,3-8,12H2,1-2H3
InChIKeyPNKSKQAMOHRILX-UHFFFAOYSA-N
XLogP3.02
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (CID 141420014) is (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is CC(C)c1cc(C(=O)N2CCc3nc(C4CCCCN4)ncc3C2)c(O)cc1O.
What is the InChIKey of (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The InChIKey is PNKSKQAMOHRILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-13(2)15-9-16(20(28)10-19(15)27)22(29)26-8-6-17-14(12-26)11-24-21(25-17)18-5-3-4-7-23-18/h9-11,13,18,23,27-28H,3-8,12H2,1-2H3.
What are the key properties of (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
(2,4-dihydroxy-5-propan-2-ylphenyl)-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone has a molecular weight of 396.49 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 141420014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).