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

C25H27N9O2 — CID 157041548

IUPACN-[4-[2-[[5-tert-butyl-1-(cyanomethyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
SMILESCn1c(Nc2cc(C(C)(C)C)n(CC#N)n2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)cc21
InChIInChI=1S/C25H27N9O2/c1-25(2,3)19-13-21(32-34(19)10-8-26)30-24-31-22-18(33(24)4)11-17(14-28-22)36-16-7-9-27-20(12-16)29-23(35)15-5-6-15/h7,9,11-15H,5-6,10H2,1-4H3,(H,27,29,35)(H,28,30,31,32)
InChIKeyRCMZTMXTSNZOIL-UHFFFAOYSA-N
MW485.55 g/mol
LogP4.27
Rot. Bonds7

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

N-[4-[2-[[5-tert-butyl-1-(cyanomethyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 157041548) has the molecular formula C25H27N9O2 and a molecular weight of 485.55 g/mol. Its IUPAC name is N-[4-[2-[[5-tert-butyl-1-(cyanomethyl)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-(cyanomethyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
PubChem CID157041548
Molecular FormulaC25H27N9O2
Molecular Weight485.55 g/mol
Exact Mass485.23
IUPAC NameN-[4-[2-[[5-tert-butyl-1-(cyanomethyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
SMILESCn1c(Nc2cc(C(C)(C)C)n(CC#N)n2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)cc21
InChIInChI=1S/C25H27N9O2/c1-25(2,3)19-13-21(32-34(19)10-8-26)30-24-31-22-18(33(24)4)11-17(14-28-22)36-16-7-9-27-20(12-16)29-23(35)15-5-6-15/h7,9,11-15H,5-6,10H2,1-4H3,(H,27,29,35)(H,28,30,31,32)
InChIKeyRCMZTMXTSNZOIL-UHFFFAOYSA-N
XLogP4.27
TPSA135.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5-tert-butyl-1-(cyanomethyl)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-(cyanomethyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (CID 157041548) is N-[4-[2-[[5-tert-butyl-1-(cyanomethyl)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-(cyanomethyl)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-(cyanomethyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is Cn1c(Nc2cc(C(C)(C)C)n(CC#N)n2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)cc21.
What is the InChIKey of N-[4-[2-[[5-tert-butyl-1-(cyanomethyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is RCMZTMXTSNZOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O2/c1-25(2,3)19-13-21(32-34(19)10-8-26)30-24-31-22-18(33(24)4)11-17(14-28-22)36-16-7-9-27-20(12-16)29-23(35)15-5-6-15/h7,9,11-15H,5-6,10H2,1-4H3,(H,27,29,35)(H,28,30,31,32).
What are the key properties of N-[4-[2-[[5-tert-butyl-1-(cyanomethyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[2-[[5-tert-butyl-1-(cyanomethyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 485.55 g/mol, XLogP of 4.27, 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-1-(cyanomethyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 157041548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).