4,5-dimethyl-N-[2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide

C24H25N5O3 — CID 90302757

About 4,5-dimethyl-N-[2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide

4,5-dimethyl-N-[2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide (PubChem CID 90302757) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4,5-dimethyl-N-[2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 4,5-dimethyl-N-[2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
• PubChem CID: 90302757
• Molecular Formula: C24H25N5O3
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.20
• IUPAC Name: 4,5-dimethyl-N-[2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
• SMILES: Cc1[nH]nc(C(=O)Nc2cnc3[nH]c(-c4ccc(OCC5(C)COC5)cc4)cc3c2)c1C
• InChI: InChI=1S/C24H25N5O3/c1-14-15(2)28-29-21(14)23(30)26-18-8-17-9-20(27-22(17)25-10-18)16-4-6-19(7-5-16)32-13-24(3)11-31-12-24/h4-10H,11-13H2,1-3H3,(H,25,27)(H,26,30)(H,28,29)
• InChIKey: ACRHADNCGAMRBT-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 104.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?

The IUPAC name of 4,5-dimethyl-N-[2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide (CID 90302757) is 4,5-dimethyl-N-[2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide.

What is the SMILES notation for 4,5-dimethyl-N-[2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?

The canonical SMILES for 4,5-dimethyl-N-[2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2cnc3[nH]c(-c4ccc(OCC5(C)COC5)cc4)cc3c2)c1C.

What is the InChIKey of 4,5-dimethyl-N-[2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?

The InChIKey is ACRHADNCGAMRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-14-15(2)28-29-21(14)23(30)26-18-8-17-9-20(27-22(17)25-10-18)16-4-6-19(7-5-16)32-13-24(3)11-31-12-24/h4-10H,11-13H2,1-3H3,(H,25,27)(H,26,30)(H,28,29).

What are the key properties of 4,5-dimethyl-N-[2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?

4,5-dimethyl-N-[2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 4.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-N-[2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 90302757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).