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

C28H34N8O4 — CID 157042024

IUPACN-[4-[2-[[5-tert-butyl-1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
SMILESCn1c(Nc2cc(C(C)(C)C)n(C[C@@H]3COCCO3)n2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)cc21
InChIInChI=1S/C28H34N8O4/c1-28(2,3)22-13-24(34-36(22)15-20-16-38-9-10-39-20)32-27-33-25-21(35(27)4)11-19(14-30-25)40-18-7-8-29-23(12-18)31-26(37)17-5-6-17/h7-8,11-14,17,20H,5-6,9-10,15-16H2,1-4H3,(H,29,31,37)(H,30,32,33,34)/t20-/m1/s1
InChIKeyGAKBXENHDLNJLE-HXUWFJFHSA-N
MW546.63 g/mol
LogP4.16
Rot. Bonds8

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

N-[4-[2-[[5-tert-butyl-1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 157042024) has the molecular formula C28H34N8O4 and a molecular weight of 546.63 g/mol. Its IUPAC name is N-[4-[2-[[5-tert-butyl-1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[[5-tert-butyl-1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
PubChem CID157042024
Molecular FormulaC28H34N8O4
Molecular Weight546.63 g/mol
Exact Mass546.27
IUPAC NameN-[4-[2-[[5-tert-butyl-1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
SMILESCn1c(Nc2cc(C(C)(C)C)n(C[C@@H]3COCCO3)n2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)cc21
InChIInChI=1S/C28H34N8O4/c1-28(2,3)22-13-24(34-36(22)15-20-16-38-9-10-39-20)32-27-33-25-21(35(27)4)11-19(14-30-25)40-18-7-8-29-23(12-18)31-26(37)17-5-6-17/h7-8,11-14,17,20H,5-6,9-10,15-16H2,1-4H3,(H,29,31,37)(H,30,32,33,34)/t20-/m1/s1
InChIKeyGAKBXENHDLNJLE-HXUWFJFHSA-N
XLogP4.16
TPSA130.24 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.63
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[4-[2-[[5-tert-butyl-1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5-tert-butyl-1-[[(2R)-1,4-dioxan-2-yl]methyl]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-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (CID 157042024) is N-[4-[2-[[5-tert-butyl-1-[[(2R)-1,4-dioxan-2-yl]methyl]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-[[(2R)-1,4-dioxan-2-yl]methyl]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-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is Cn1c(Nc2cc(C(C)(C)C)n(C[C@@H]3COCCO3)n2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)cc21.
What is the InChIKey of N-[4-[2-[[5-tert-butyl-1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is GAKBXENHDLNJLE-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H34N8O4/c1-28(2,3)22-13-24(34-36(22)15-20-16-38-9-10-39-20)32-27-33-25-21(35(27)4)11-19(14-30-25)40-18-7-8-29-23(12-18)31-26(37)17-5-6-17/h7-8,11-14,17,20H,5-6,9-10,15-16H2,1-4H3,(H,29,31,37)(H,30,32,33,34)/t20-/m1/s1.
What are the key properties of N-[4-[2-[[5-tert-butyl-1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[2-[[5-tert-butyl-1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 546.63 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[5-tert-butyl-1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 157042024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).