N-[(3,4-difluorophenyl)methyl]-2-[[3-propan-2-yloxy-5-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methylamino]pyridine-3-carboxamide

C33H29F2N7O2 — CID 67086108

About N-[(3,4-difluorophenyl)methyl]-2-[[3-propan-2-yloxy-5-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methylamino]pyridine-3-carboxamide

N-[(3,4-difluorophenyl)methyl]-2-[[3-propan-2-yloxy-5-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methylamino]pyridine-3-carboxamide (PubChem CID 67086108) has the molecular formula C33H29F2N7O2 and a molecular weight of 593.64 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-[[3-propan-2-yloxy-5-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3,4-difluorophenyl)methyl]-2-[[3-propan-2-yloxy-5-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methylamino]pyridine-3-carboxamide
• PubChem CID: 67086108
• Molecular Formula: C33H29F2N7O2
• Molecular Weight: 593.64 g/mol
• Exact Mass: 593.24
• IUPAC Name: N-[(3,4-difluorophenyl)methyl]-2-[[3-propan-2-yloxy-5-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methylamino]pyridine-3-carboxamide
• SMILES: CC(C)Oc1cc(CNc2ncccc2C(=O)NCc2ccc(F)c(F)c2)cc(-c2c[nH]c3ncc(-c4ccn[nH]4)cc23)c1
• InChI: InChI=1S/C33H29F2N7O2/c1-19(2)44-24-11-21(10-22(13-24)27-18-39-32-26(27)14-23(17-38-32)30-7-9-41-42-30)16-37-31-25(4-3-8-36-31)33(43)40-15-20-5-6-28(34)29(35)12-20/h3-14,17-19H,15-16H2,1-2H3,(H,36,37)(H,38,39)(H,40,43)(H,41,42)
• InChIKey: GADNDAUPLIJHDQ-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 120.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.64
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-[[3-propan-2-yloxy-5-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methylamino]pyridine-3-carboxamide?

The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-[[3-propan-2-yloxy-5-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methylamino]pyridine-3-carboxamide (CID 67086108) is N-[(3,4-difluorophenyl)methyl]-2-[[3-propan-2-yloxy-5-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methylamino]pyridine-3-carboxamide.

What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-[[3-propan-2-yloxy-5-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methylamino]pyridine-3-carboxamide?

The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-[[3-propan-2-yloxy-5-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methylamino]pyridine-3-carboxamide is CC(C)Oc1cc(CNc2ncccc2C(=O)NCc2ccc(F)c(F)c2)cc(-c2c[nH]c3ncc(-c4ccn[nH]4)cc23)c1.

What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-[[3-propan-2-yloxy-5-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methylamino]pyridine-3-carboxamide?

The InChIKey is GADNDAUPLIJHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29F2N7O2/c1-19(2)44-24-11-21(10-22(13-24)27-18-39-32-26(27)14-23(17-38-32)30-7-9-41-42-30)16-37-31-25(4-3-8-36-31)33(43)40-15-20-5-6-28(34)29(35)12-20/h3-14,17-19H,15-16H2,1-2H3,(H,36,37)(H,38,39)(H,40,43)(H,41,42).

What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-[[3-propan-2-yloxy-5-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methylamino]pyridine-3-carboxamide?

N-[(3,4-difluorophenyl)methyl]-2-[[3-propan-2-yloxy-5-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methylamino]pyridine-3-carboxamide has a molecular weight of 593.64 g/mol, XLogP of 6.62, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-difluorophenyl)methyl]-2-[[3-propan-2-yloxy-5-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 67086108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).