1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine

C22H27N7O — CID 140830699

About 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine

1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine (PubChem CID 140830699) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

• Compound Name: 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
• PubChem CID: 140830699
• Molecular Formula: C22H27N7O
• Molecular Weight: 405.51 g/mol
• Exact Mass: 405.23
• IUPAC Name: 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
• SMILES: CCOc1ncccc1-c1cc(NCc2ccn[nH]2)c2c(n1)c(C)nn2[C@@H](C)CC
• InChI: InChI=1S/C22H27N7O/c1-5-14(3)29-21-19(24-13-16-9-11-25-27-16)12-18(26-20(21)15(4)28-29)17-8-7-10-23-22(17)30-6-2/h7-12,14H,5-6,13H2,1-4H3,(H,24,26)(H,25,27)/t14-/m0/s1
• InChIKey: MSYXYAZMFHMJKN-AWEZNQCLSA-N
• XLogP: 4.51
• TPSA: 93.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.51
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine?

The IUPAC name of 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine (CID 140830699) is 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine.

What is the SMILES notation for 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine?

The canonical SMILES for 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine is CCOc1ncccc1-c1cc(NCc2ccn[nH]2)c2c(n1)c(C)nn2[C@@H](C)CC.

What is the InChIKey of 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine?

The InChIKey is MSYXYAZMFHMJKN-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H27N7O/c1-5-14(3)29-21-19(24-13-16-9-11-25-27-16)12-18(26-20(21)15(4)28-29)17-8-7-10-23-22(17)30-6-2/h7-12,14H,5-6,13H2,1-4H3,(H,24,26)(H,25,27)/t14-/m0/s1.

What are the key properties of 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine?

1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 405.51 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 140830699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).