(3R)-N-(cyclopropylmethyl)-1-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidine-3-carboxamide

C17H24N6O2 — CID 136706993

About (3R)-N-(cyclopropylmethyl)-1-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidine-3-carboxamide

(3R)-N-(cyclopropylmethyl)-1-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidine-3-carboxamide (PubChem CID 136706993) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is (3R)-N-(cyclopropylmethyl)-1-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(cyclopropylmethyl)-1-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidine-3-carboxamide
• PubChem CID: 136706993
• Molecular Formula: C17H24N6O2
• Molecular Weight: 344.42 g/mol
• Exact Mass: 344.20
• IUPAC Name: (3R)-N-(cyclopropylmethyl)-1-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidine-3-carboxamide
• SMILES: Cn1ncc2c(=O)[nH]c(CN3CCC[C@@H](C(=O)NCC4CC4)C3)nc21
• InChI: InChI=1S/C17H24N6O2/c1-22-15-13(8-19-22)17(25)21-14(20-15)10-23-6-2-3-12(9-23)16(24)18-7-11-4-5-11/h8,11-12H,2-7,9-10H2,1H3,(H,18,24)(H,20,21,25)/t12-/m1/s1
• InChIKey: MZGXOGBBJVQRDT-GFCCVEGCSA-N
• XLogP: 0.39
• TPSA: 95.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.42
LogP ≤ 5	0.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(cyclopropylmethyl)-1-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-(cyclopropylmethyl)-1-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidine-3-carboxamide (CID 136706993) is (3R)-N-(cyclopropylmethyl)-1-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-(cyclopropylmethyl)-1-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-(cyclopropylmethyl)-1-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidine-3-carboxamide is Cn1ncc2c(=O)[nH]c(CN3CCC[C@@H](C(=O)NCC4CC4)C3)nc21.

What is the InChIKey of (3R)-N-(cyclopropylmethyl)-1-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidine-3-carboxamide?

The InChIKey is MZGXOGBBJVQRDT-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-22-15-13(8-19-22)17(25)21-14(20-15)10-23-6-2-3-12(9-23)16(24)18-7-11-4-5-11/h8,11-12H,2-7,9-10H2,1H3,(H,18,24)(H,20,21,25)/t12-/m1/s1.

What are the key properties of (3R)-N-(cyclopropylmethyl)-1-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidine-3-carboxamide?

(3R)-N-(cyclopropylmethyl)-1-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(cyclopropylmethyl)-1-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 136706993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).