3-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C22H27N5O2 — CID 138995878

IUPAC3-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCC(C)c1ccc2c(c1)[C@@H](NC(=O)CCc1nc3c(cnn3C)c(=O)[nH]1)CCC2
InChIInChI=1S/C22H27N5O2/c1-13(2)15-8-7-14-5-4-6-18(16(14)11-15)24-20(28)10-9-19-25-21-17(22(29)26-19)12-23-27(21)3/h7-8,11-13,18H,4-6,9-10H2,1-3H3,(H,24,28)(H,25,26,29)/t18-/m0/s1
InChIKeyXYKBLZNBZDXMEZ-SFHVURJKSA-N
MW393.49 g/mol
LogP2.91
Rot. Bonds5

About 3-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

3-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 138995878) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name3-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID138995878
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name3-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCC(C)c1ccc2c(c1)[C@@H](NC(=O)CCc1nc3c(cnn3C)c(=O)[nH]1)CCC2
InChIInChI=1S/C22H27N5O2/c1-13(2)15-8-7-14-5-4-6-18(16(14)11-15)24-20(28)10-9-19-25-21-17(22(29)26-19)12-23-27(21)3/h7-8,11-13,18H,4-6,9-10H2,1-3H3,(H,24,28)(H,25,26,29)/t18-/m0/s1
InChIKeyXYKBLZNBZDXMEZ-SFHVURJKSA-N
XLogP2.91
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of 3-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 138995878) is 3-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for 3-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for 3-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is CC(C)c1ccc2c(c1)[C@@H](NC(=O)CCc1nc3c(cnn3C)c(=O)[nH]1)CCC2.
What is the InChIKey of 3-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is XYKBLZNBZDXMEZ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-13(2)15-8-7-14-5-4-6-18(16(14)11-15)24-20(28)10-9-19-25-21-17(22(29)26-19)12-23-27(21)3/h7-8,11-13,18H,4-6,9-10H2,1-3H3,(H,24,28)(H,25,26,29)/t18-/m0/s1.
What are the key properties of 3-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
3-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 393.49 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 138995878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).