N-[4-[2-[[5-tert-butyl-1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide

C27H34N8O3 — CID 157041676

About N-[4-[2-[[5-tert-butyl-1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide

N-[4-[2-[[5-tert-butyl-1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 157041676) has the molecular formula C27H34N8O3 and a molecular weight of 518.62 g/mol. Its IUPAC name is N-[4-[2-[[5-tert-butyl-1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[[5-tert-butyl-1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
• PubChem CID: 157041676
• Molecular Formula: C27H34N8O3
• Molecular Weight: 518.62 g/mol
• Exact Mass: 518.28
• IUPAC Name: N-[4-[2-[[5-tert-butyl-1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
• SMILES: C[C@H](CO)Cn1nc(Nc2nc3ncc(Oc4ccnc(NC(=O)C5CC5)c4)cc3n2C)cc1C(C)(C)C
• InChI: InChI=1S/C27H34N8O3/c1-16(15-36)14-35-21(27(2,3)4)12-23(33-35)31-26-32-24-20(34(26)5)10-19(13-29-24)38-18-8-9-28-22(11-18)30-25(37)17-6-7-17/h8-13,16-17,36H,6-7,14-15H2,1-5H3,(H,28,30,37)(H,29,31,32,33)/t16-/m0/s1
• InChIKey: LYHIOOASJOMHKI-INIZCTEOSA-N
• XLogP: 4.37
• TPSA: 132.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.62
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-[[5-tert-butyl-1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (CID 157041676) is N-[4-[2-[[5-tert-butyl-1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide.

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

The canonical SMILES for N-[4-[2-[[5-tert-butyl-1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is C[C@H](CO)Cn1nc(Nc2nc3ncc(Oc4ccnc(NC(=O)C5CC5)c4)cc3n2C)cc1C(C)(C)C.

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

The InChIKey is LYHIOOASJOMHKI-INIZCTEOSA-N. The full InChI is InChI=1S/C27H34N8O3/c1-16(15-36)14-35-21(27(2,3)4)12-23(33-35)31-26-32-24-20(34(26)5)10-19(13-29-24)38-18-8-9-28-22(11-18)30-25(37)17-6-7-17/h8-13,16-17,36H,6-7,14-15H2,1-5H3,(H,28,30,37)(H,29,31,32,33)/t16-/m0/s1.

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

N-[4-[2-[[5-tert-butyl-1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 518.62 g/mol, XLogP of 4.37, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[[5-tert-butyl-1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 157041676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).