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

C22H27N3O2 — CID 137299170

IUPACcyclopentyl-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCC(C)c1nc2c(c(-c3ccc(O)cc3)n1)CN(C(=O)C1CCCC1)CC2
InChIInChI=1S/C22H27N3O2/c1-14(2)21-23-19-11-12-25(22(27)16-5-3-4-6-16)13-18(19)20(24-21)15-7-9-17(26)10-8-15/h7-10,14,16,26H,3-6,11-13H2,1-2H3
InChIKeyVZKPRBZWTSDGQE-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.05
Rot. Bonds3

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

cyclopentyl-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 137299170) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is cyclopentyl-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID137299170
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Namecyclopentyl-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCC(C)c1nc2c(c(-c3ccc(O)cc3)n1)CN(C(=O)C1CCCC1)CC2
InChIInChI=1S/C22H27N3O2/c1-14(2)21-23-19-11-12-25(22(27)16-5-3-4-6-16)13-18(19)20(24-21)15-7-9-17(26)10-8-15/h7-10,14,16,26H,3-6,11-13H2,1-2H3
InChIKeyVZKPRBZWTSDGQE-UHFFFAOYSA-N
XLogP4.05
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of cyclopentyl-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 137299170) is cyclopentyl-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is CC(C)c1nc2c(c(-c3ccc(O)cc3)n1)CN(C(=O)C1CCCC1)CC2.
What is the InChIKey of cyclopentyl-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is VZKPRBZWTSDGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-14(2)21-23-19-11-12-25(22(27)16-5-3-4-6-16)13-18(19)20(24-21)15-7-9-17(26)10-8-15/h7-10,14,16,26H,3-6,11-13H2,1-2H3.
What are the key properties of cyclopentyl-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
cyclopentyl-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 365.48 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 137299170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).