N-[2-methyl-5-[2-(1-methylpyrazol-4-yl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide;molecular hydrogen

C27H29N7O2 — CID 156833677

About N-[2-methyl-5-[2-(1-methylpyrazol-4-yl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide;molecular hydrogen

N-[2-methyl-5-[2-(1-methylpyrazol-4-yl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide;molecular hydrogen (PubChem CID 156833677) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is N-[2-methyl-5-[2-(1-methylpyrazol-4-yl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[2-methyl-5-[2-(1-methylpyrazol-4-yl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide;molecular hydrogen
• PubChem CID: 156833677
• Molecular Formula: C27H29N7O2
• Molecular Weight: 483.58 g/mol
• Exact Mass: 483.24
• IUPAC Name: N-[2-methyl-5-[2-(1-methylpyrazol-4-yl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide;molecular hydrogen
• SMILES: C=CC(=O)Nc1cc(-c2c(-c3cnn(C)c3)[nH]c3ncc(-c4cnn(C5COC5)c4)cc23)ccc1C.[H][H].[H][H]
• InChI: InChI=1S/C27H25N7O2.2H2/c1-4-24(35)31-23-8-17(6-5-16(23)2)25-22-7-18(19-10-30-34(13-19)21-14-36-15-21)9-28-27(22)32-26(25)20-11-29-33(3)12-20;;/h4-13,21H,1,14-15H2,2-3H3,(H,28,32)(H,31,35);2*1H
• InChIKey: SRNJMPMYUKBCEX-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 102.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.58
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[2-(1-methylpyrazol-4-yl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide;molecular hydrogen?

The IUPAC name of N-[2-methyl-5-[2-(1-methylpyrazol-4-yl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide;molecular hydrogen (CID 156833677) is N-[2-methyl-5-[2-(1-methylpyrazol-4-yl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide;molecular hydrogen.

What is the SMILES notation for N-[2-methyl-5-[2-(1-methylpyrazol-4-yl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide;molecular hydrogen?

The canonical SMILES for N-[2-methyl-5-[2-(1-methylpyrazol-4-yl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide;molecular hydrogen is C=CC(=O)Nc1cc(-c2c(-c3cnn(C)c3)[nH]c3ncc(-c4cnn(C5COC5)c4)cc23)ccc1C.[H][H].[H][H].

What is the InChIKey of N-[2-methyl-5-[2-(1-methylpyrazol-4-yl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide;molecular hydrogen?

The InChIKey is SRNJMPMYUKBCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2.2H2/c1-4-24(35)31-23-8-17(6-5-16(23)2)25-22-7-18(19-10-30-34(13-19)21-14-36-15-21)9-28-27(22)32-26(25)20-11-29-33(3)12-20;;/h4-13,21H,1,14-15H2,2-3H3,(H,28,32)(H,31,35);2*1H.

What are the key properties of N-[2-methyl-5-[2-(1-methylpyrazol-4-yl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide;molecular hydrogen?

N-[2-methyl-5-[2-(1-methylpyrazol-4-yl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide;molecular hydrogen has a molecular weight of 483.58 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-5-[2-(1-methylpyrazol-4-yl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide;molecular hydrogen is sourced from PubChem (CID 156833677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).