6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride

C19H29Cl2N5O3 — CID 120889438

About 6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride

6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 120889438) has the molecular formula C19H29Cl2N5O3 and a molecular weight of 446.38 g/mol. Its IUPAC name is 6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
• PubChem CID: 120889438
• Molecular Formula: C19H29Cl2N5O3
• Molecular Weight: 446.38 g/mol
• Exact Mass: 445.16
• IUPAC Name: 6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
• SMILES: COCC1(CNC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)CCNCC1.Cl.Cl
• InChI: InChI=1S/C19H27N5O3.2ClH/c1-24-16-15(18(26)23-24)13(9-14(22-16)12-3-4-12)17(25)21-10-19(11-27-2)5-7-20-8-6-19;;/h9,12,20H,3-8,10-11H2,1-2H3,(H,21,25)(H,23,26);2*1H
• InChIKey: DGJKOKYVLKOFRX-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 101.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.38
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?

The IUPAC name of 6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride (CID 120889438) is 6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride.

What is the SMILES notation for 6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?

The canonical SMILES for 6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride is COCC1(CNC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)CCNCC1.Cl.Cl.

What is the InChIKey of 6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?

The InChIKey is DGJKOKYVLKOFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3.2ClH/c1-24-16-15(18(26)23-24)13(9-14(22-16)12-3-4-12)17(25)21-10-19(11-27-2)5-7-20-8-6-19;;/h9,12,20H,3-8,10-11H2,1-2H3,(H,21,25)(H,23,26);2*1H.

What are the key properties of 6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?

6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 446.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120889438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).