6-cyclopropyl-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H31N5O2 — CID 40799026

About 6-cyclopropyl-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 40799026) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 6-cyclopropyl-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 40799026
• Molecular Formula: C25H31N5O2
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.25
• IUPAC Name: 6-cyclopropyl-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CCN1C[C@@H](CN(C)C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)Oc2ccccc21
• InChI: InChI=1S/C25H31N5O2/c1-5-29-15-18(32-23-9-7-6-8-22(23)29)14-28(4)25(31)19-12-21(17-10-11-17)27-24-20(19)13-26-30(24)16(2)3/h6-9,12-13,16-18H,5,10-11,14-15H2,1-4H3/t18-/m1/s1
• InChIKey: ZJJLFBWJOXTNLC-GOSISDBHSA-N
• XLogP: 4.25
• TPSA: 63.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-cyclopropyl-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 40799026) is 6-cyclopropyl-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCN1C[C@@H](CN(C)C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)Oc2ccccc21.

What is the InChIKey of 6-cyclopropyl-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is ZJJLFBWJOXTNLC-GOSISDBHSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-5-29-15-18(32-23-9-7-6-8-22(23)29)14-28(4)25(31)19-12-21(17-10-11-17)27-24-20(19)13-26-30(24)16(2)3/h6-9,12-13,16-18H,5,10-11,14-15H2,1-4H3/t18-/m1/s1.

What are the key properties of 6-cyclopropyl-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

6-cyclopropyl-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 40799026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).