2-[1-(4-phenylphenyl)cyclopropyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one

C22H21N3O — CID 166816033

IUPAC2-[1-(4-phenylphenyl)cyclopropyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2(c3ccc(-c4ccccc4)cc3)CC2)nc2c1CNCC2
InChIInChI=1S/C22H21N3O/c26-20-18-14-23-13-10-19(18)24-21(25-20)22(11-12-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,23H,10-14H2,(H,24,25,26)
InChIKeyFWXGNYADQALZIC-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.16
Rot. Bonds3

About 2-[1-(4-phenylphenyl)cyclopropyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one

2-[1-(4-phenylphenyl)cyclopropyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 166816033) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[1-(4-phenylphenyl)cyclopropyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-(4-phenylphenyl)cyclopropyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID166816033
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2-[1-(4-phenylphenyl)cyclopropyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2(c3ccc(-c4ccccc4)cc3)CC2)nc2c1CNCC2
InChIInChI=1S/C22H21N3O/c26-20-18-14-23-13-10-19(18)24-21(25-20)22(11-12-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,23H,10-14H2,(H,24,25,26)
InChIKeyFWXGNYADQALZIC-UHFFFAOYSA-N
XLogP3.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-phenylphenyl)cyclopropyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[1-(4-phenylphenyl)cyclopropyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (CID 166816033) is 2-[1-(4-phenylphenyl)cyclopropyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-(4-phenylphenyl)cyclopropyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-(4-phenylphenyl)cyclopropyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(C2(c3ccc(-c4ccccc4)cc3)CC2)nc2c1CNCC2.
What is the InChIKey of 2-[1-(4-phenylphenyl)cyclopropyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is FWXGNYADQALZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c26-20-18-14-23-13-10-19(18)24-21(25-20)22(11-12-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,23H,10-14H2,(H,24,25,26).
What are the key properties of 2-[1-(4-phenylphenyl)cyclopropyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
2-[1-(4-phenylphenyl)cyclopropyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 343.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-phenylphenyl)cyclopropyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 166816033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).