2-cyclopropyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C19H19N5O — CID 135946152

IUPAC2-cyclopropyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CC2)nc2c1CN(Cc1ccc3cccnc3n1)CC2
InChIInChI=1S/C19H19N5O/c25-19-15-11-24(9-7-16(15)22-18(23-19)13-3-4-13)10-14-6-5-12-2-1-8-20-17(12)21-14/h1-2,5-6,8,13H,3-4,7,9-11H2,(H,22,23,25)
InChIKeyXALMVIQSOILBMJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.15
Rot. Bonds3

About 2-cyclopropyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-cyclopropyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135946152) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-cyclopropyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135946152
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name2-cyclopropyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CC2)nc2c1CN(Cc1ccc3cccnc3n1)CC2
InChIInChI=1S/C19H19N5O/c25-19-15-11-24(9-7-16(15)22-18(23-19)13-3-4-13)10-14-6-5-12-2-1-8-20-17(12)21-14/h1-2,5-6,8,13H,3-4,7,9-11H2,(H,22,23,25)
InChIKeyXALMVIQSOILBMJ-UHFFFAOYSA-N
XLogP2.15
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946139
2-methylsulfanyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946138
2-cyclopropyl-6-(1,3-thiazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942614
2-cyclopropyl-6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946792
2-cyclohexyl-6-[(2-methyl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947828
2-cyclopropyl-6-(quinolin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861287
2-cyclohexyl-6-[(2-methoxy-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945255
2-cyclopropyl-6-[(2-methylpyrazol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944852
2-cyclopropyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862464
6-[(2-aminopyrimidin-5-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944972
6-[(6-chloro-3-pyridinyl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944532
2-cyclopropyl-6-(pyrimidin-5-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944892

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-cyclopropyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135946152) is 2-cyclopropyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclopropyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclopropyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(C2CC2)nc2c1CN(Cc1ccc3cccnc3n1)CC2.
What is the InChIKey of 2-cyclopropyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XALMVIQSOILBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19-15-11-24(9-7-16(15)22-18(23-19)13-3-4-13)10-14-6-5-12-2-1-8-20-17(12)21-14/h1-2,5-6,8,13H,3-4,7,9-11H2,(H,22,23,25).
What are the key properties of 2-cyclopropyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-cyclopropyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 333.39 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135946152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).