methyl 3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]piperidine-1-carboxylate

C25H26N8O3 — CID 135195596

IUPACmethyl 3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(c2cc(-c3cnc(-n4ncc5cc(C#N)cnc54)cc3NC(C)C)on2)C1
InChIInChI=1S/C25H26N8O3/c1-15(2)30-21-9-23(33-24-18(12-29-33)7-16(10-26)11-28-24)27-13-19(21)22-8-20(31-36-22)17-5-4-6-32(14-17)25(34)35-3/h7-9,11-13,15,17H,4-6,14H2,1-3H3,(H,27,30)
InChIKeyQMZAJEBVYIDVAU-UHFFFAOYSA-N
MW486.54 g/mol
LogP4.11
Rot. Bonds5

About methyl 3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]piperidine-1-carboxylate

methyl 3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]piperidine-1-carboxylate (PubChem CID 135195596) has the molecular formula C25H26N8O3 and a molecular weight of 486.54 g/mol. Its IUPAC name is methyl 3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]piperidine-1-carboxylate
PubChem CID135195596
Molecular FormulaC25H26N8O3
Molecular Weight486.54 g/mol
Exact Mass486.21
IUPAC Namemethyl 3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(c2cc(-c3cnc(-n4ncc5cc(C#N)cnc54)cc3NC(C)C)on2)C1
InChIInChI=1S/C25H26N8O3/c1-15(2)30-21-9-23(33-24-18(12-29-33)7-16(10-26)11-28-24)27-13-19(21)22-8-20(31-36-22)17-5-4-6-32(14-17)25(34)35-3/h7-9,11-13,15,17H,4-6,14H2,1-3H3,(H,27,30)
InChIKeyQMZAJEBVYIDVAU-UHFFFAOYSA-N
XLogP4.11
TPSA134.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of methyl 3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]piperidine-1-carboxylate (CID 135195596) is methyl 3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for methyl 3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]piperidine-1-carboxylate is COC(=O)N1CCCC(c2cc(-c3cnc(-n4ncc5cc(C#N)cnc54)cc3NC(C)C)on2)C1.
What is the InChIKey of methyl 3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]piperidine-1-carboxylate?
The InChIKey is QMZAJEBVYIDVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O3/c1-15(2)30-21-9-23(33-24-18(12-29-33)7-16(10-26)11-28-24)27-13-19(21)22-8-20(31-36-22)17-5-4-6-32(14-17)25(34)35-3/h7-9,11-13,15,17H,4-6,14H2,1-3H3,(H,27,30).
What are the key properties of methyl 3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]piperidine-1-carboxylate?
methyl 3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]piperidine-1-carboxylate has a molecular weight of 486.54 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 135195596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).