N-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide

C24H27FN8O3 — CID 166833970

About N-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide

N-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide (PubChem CID 166833970) has the molecular formula C24H27FN8O3 and a molecular weight of 494.53 g/mol. Its IUPAC name is N-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide.

Molecular Properties

• Compound Name: N-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide
• PubChem CID: 166833970
• Molecular Formula: C24H27FN8O3
• Molecular Weight: 494.53 g/mol
• Exact Mass: 494.22
• IUPAC Name: N-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide
• SMILES: Cn1c(Nc2nn(C3CCOC3)c(C(C)(C)C)c2F)nc2ncc(Oc3ccnc(NC=O)c3)cc21
• InChI: InChI=1S/C24H27FN8O3/c1-24(2,3)20-19(25)22(31-33(20)14-6-8-35-12-14)30-23-29-21-17(32(23)4)9-16(11-27-21)36-15-5-7-26-18(10-15)28-13-34/h5,7,9-11,13-14H,6,8,12H2,1-4H3,(H,26,28,34)(H,27,29,30,31)
• InChIKey: QMTIUBOFPRQSJX-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 121.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.53
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide?

The IUPAC name of N-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide (CID 166833970) is N-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide.

What is the SMILES notation for N-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide?

The canonical SMILES for N-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide is Cn1c(Nc2nn(C3CCOC3)c(C(C)(C)C)c2F)nc2ncc(Oc3ccnc(NC=O)c3)cc21.

What is the InChIKey of N-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide?

The InChIKey is QMTIUBOFPRQSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN8O3/c1-24(2,3)20-19(25)22(31-33(20)14-6-8-35-12-14)30-23-29-21-17(32(23)4)9-16(11-27-21)36-15-5-7-26-18(10-15)28-13-34/h5,7,9-11,13-14H,6,8,12H2,1-4H3,(H,26,28,34)(H,27,29,30,31).

What are the key properties of N-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide?

N-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide has a molecular weight of 494.53 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide is sourced from PubChem (CID 166833970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).