7-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C16H22N4O2 — CID 136948029

IUPAC7-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCN(C(=O)CN1C[C@@H]3CC[C@H]1C3)C2
InChIInChI=1S/C16H22N4O2/c1-10-17-14-8-19(5-4-13(14)16(22)18-10)15(21)9-20-7-11-2-3-12(20)6-11/h11-12H,2-9H2,1H3,(H,17,18,22)/t11-,12+/m1/s1
InChIKeyRPZZQOURDHDTOB-NEPJUHHUSA-N
MW302.38 g/mol
LogP0.45
Rot. Bonds2

About 7-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136948029) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 7-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136948029
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name7-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCN(C(=O)CN1C[C@@H]3CC[C@H]1C3)C2
InChIInChI=1S/C16H22N4O2/c1-10-17-14-8-19(5-4-13(14)16(22)18-10)15(21)9-20-7-11-2-3-12(20)6-11/h11-12H,2-9H2,1H3,(H,17,18,22)/t11-,12+/m1/s1
InChIKeyRPZZQOURDHDTOB-NEPJUHHUSA-N
XLogP0.45
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[2-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]-2,3-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-one
CID 50967554
(3aR,7aR)-2-[3-(2-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 136828970
2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-1-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 133128264
(5R)-5-[2-(2-methyl-4-oxo-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-7-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 137065795
7-(bicyclo[4.1.0]heptane-7-carbonyl)-2-methyl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136816185
2-methyl-7-phosphanyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137223582
2-methyl-6-[2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 155953802
7-[2-(1,3-dihydroisoindol-2-yl)acetyl]-2-(dimethylamino)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136998405
ethyl 2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetate
CID 124526616
2-methyl-6-[2-(9H-xanthen-9-yl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135719567
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
CID 74245060
7-(2-cyclopentylacetyl)-2-(5-methylpyrazin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136874996

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136948029) is 7-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CCN(C(=O)CN1C[C@@H]3CC[C@H]1C3)C2.
What is the InChIKey of 7-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is RPZZQOURDHDTOB-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10-17-14-8-19(5-4-13(14)16(22)18-10)15(21)9-20-7-11-2-3-12(20)6-11/h11-12H,2-9H2,1H3,(H,17,18,22)/t11-,12+/m1/s1.
What are the key properties of 7-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 302.38 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136948029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).