7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(5S)-8-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,6-naphthyridine-5,7-diamine

C25H34N8 — CID 167341844

About 7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(5S)-8-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,6-naphthyridine-5,7-diamine

7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(5S)-8-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,6-naphthyridine-5,7-diamine (PubChem CID 167341844) has the molecular formula C25H34N8 and a molecular weight of 446.60 g/mol. Its IUPAC name is 7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(5S)-8-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,6-naphthyridine-5,7-diamine.

Molecular Properties

• Compound Name: 7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(5S)-8-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,6-naphthyridine-5,7-diamine
• PubChem CID: 167341844
• Molecular Formula: C25H34N8
• Molecular Weight: 446.60 g/mol
• Exact Mass: 446.29
• IUPAC Name: 7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(5S)-8-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,6-naphthyridine-5,7-diamine
• SMILES: Cc1cc(Nc2cc3ncccc3c(NC3CC4CC[C@@H](C3)N4CC3CCNCC3)n2)n[nH]1
• InChI: InChI=1S/C25H34N8/c1-16-11-24(32-31-16)29-23-14-22-21(3-2-8-27-22)25(30-23)28-18-12-19-4-5-20(13-18)33(19)15-17-6-9-26-10-7-17/h2-3,8,11,14,17-20,26H,4-7,9-10,12-13,15H2,1H3,(H3,28,29,30,31,32)/t18?,19-,20?/m0/s1
• InChIKey: XGMZBAIUPOHYGR-GPJFCIFZSA-N
• XLogP: 3.81
• TPSA: 93.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.60
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(5S)-8-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,6-naphthyridine-5,7-diamine?

The IUPAC name of 7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(5S)-8-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,6-naphthyridine-5,7-diamine (CID 167341844) is 7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(5S)-8-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,6-naphthyridine-5,7-diamine.

What is the SMILES notation for 7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(5S)-8-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,6-naphthyridine-5,7-diamine?

The canonical SMILES for 7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(5S)-8-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,6-naphthyridine-5,7-diamine is Cc1cc(Nc2cc3ncccc3c(NC3CC4CC[C@@H](C3)N4CC3CCNCC3)n2)n[nH]1.

What is the InChIKey of 7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(5S)-8-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,6-naphthyridine-5,7-diamine?

The InChIKey is XGMZBAIUPOHYGR-GPJFCIFZSA-N. The full InChI is InChI=1S/C25H34N8/c1-16-11-24(32-31-16)29-23-14-22-21(3-2-8-27-22)25(30-23)28-18-12-19-4-5-20(13-18)33(19)15-17-6-9-26-10-7-17/h2-3,8,11,14,17-20,26H,4-7,9-10,12-13,15H2,1H3,(H3,28,29,30,31,32)/t18?,19-,20?/m0/s1.

What are the key properties of 7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(5S)-8-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,6-naphthyridine-5,7-diamine?

7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(5S)-8-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,6-naphthyridine-5,7-diamine has a molecular weight of 446.60 g/mol, XLogP of 3.81, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(5S)-8-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,6-naphthyridine-5,7-diamine is sourced from PubChem (CID 167341844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).