N-(3-ethoxy-1-methylpyrazol-4-yl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[3,2-b]pyridin-7-amine

C23H26N10O2 — CID 146497680

About N-(3-ethoxy-1-methylpyrazol-4-yl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[3,2-b]pyridin-7-amine

N-(3-ethoxy-1-methylpyrazol-4-yl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[3,2-b]pyridin-7-amine (PubChem CID 146497680) has the molecular formula C23H26N10O2 and a molecular weight of 474.53 g/mol. Its IUPAC name is N-(3-ethoxy-1-methylpyrazol-4-yl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[3,2-b]pyridin-7-amine.

Molecular Properties

• Compound Name: N-(3-ethoxy-1-methylpyrazol-4-yl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[3,2-b]pyridin-7-amine
• PubChem CID: 146497680
• Molecular Formula: C23H26N10O2
• Molecular Weight: 474.53 g/mol
• Exact Mass: 474.22
• IUPAC Name: N-(3-ethoxy-1-methylpyrazol-4-yl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[3,2-b]pyridin-7-amine
• SMILES: CCOc1nn(C)cc1Nc1ccnc2c(-c3nc(Nc4cn(C)nc4OC)ncc3C)c[nH]c12
• InChI: InChI=1S/C23H26N10O2/c1-6-35-22-17(12-33(4)31-22)27-15-7-8-24-19-14(10-25-20(15)19)18-13(2)9-26-23(29-18)28-16-11-32(3)30-21(16)34-5/h7-12,25H,6H2,1-5H3,(H,24,27)(H,26,28,29)
• InChIKey: BAPWFBMSABWMEK-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 132.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.53
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1-methylpyrazol-4-yl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[3,2-b]pyridin-7-amine?

The IUPAC name of N-(3-ethoxy-1-methylpyrazol-4-yl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[3,2-b]pyridin-7-amine (CID 146497680) is N-(3-ethoxy-1-methylpyrazol-4-yl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[3,2-b]pyridin-7-amine.

What is the SMILES notation for N-(3-ethoxy-1-methylpyrazol-4-yl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[3,2-b]pyridin-7-amine?

The canonical SMILES for N-(3-ethoxy-1-methylpyrazol-4-yl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[3,2-b]pyridin-7-amine is CCOc1nn(C)cc1Nc1ccnc2c(-c3nc(Nc4cn(C)nc4OC)ncc3C)c[nH]c12.

What is the InChIKey of N-(3-ethoxy-1-methylpyrazol-4-yl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[3,2-b]pyridin-7-amine?

The InChIKey is BAPWFBMSABWMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N10O2/c1-6-35-22-17(12-33(4)31-22)27-15-7-8-24-19-14(10-25-20(15)19)18-13(2)9-26-23(29-18)28-16-11-32(3)30-21(16)34-5/h7-12,25H,6H2,1-5H3,(H,24,27)(H,26,28,29).

What are the key properties of N-(3-ethoxy-1-methylpyrazol-4-yl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[3,2-b]pyridin-7-amine?

N-(3-ethoxy-1-methylpyrazol-4-yl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[3,2-b]pyridin-7-amine has a molecular weight of 474.53 g/mol, XLogP of 3.69, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-ethoxy-1-methylpyrazol-4-yl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[3,2-b]pyridin-7-amine is sourced from PubChem (CID 146497680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).