tert-butyl (2R)-2-[[3-cyano-4-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate

C32H32FN9O4 — CID 166793045

IUPACtert-butyl (2R)-2-[[3-cyano-4-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@@H](COc2cc(-c3ccc(NCc4ccc(-n5cc(F)cn5)nc4)nc3)c3c(C#N)cnn3c2)C1
InChIInChI=1S/C32H32FN9O4/c1-32(2,3)46-31(43)40-8-9-44-26(18-40)20-45-25-10-27(30-23(11-34)15-38-42(30)19-25)22-5-6-28(36-14-22)35-12-21-4-7-29(37-13-21)41-17-24(33)16-39-41/h4-7,10,13-17,19,26H,8-9,12,18,20H2,1-3H3,(H,35,36)/t26-/m1/s1
InChIKeyWQDVPELEAKZVRS-AREMUKBSSA-N
MW625.67 g/mol
LogP4.61
Rot. Bonds8

About tert-butyl (2R)-2-[[3-cyano-4-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate

tert-butyl (2R)-2-[[3-cyano-4-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate (PubChem CID 166793045) has the molecular formula C32H32FN9O4 and a molecular weight of 625.67 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[3-cyano-4-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[3-cyano-4-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate
PubChem CID166793045
Molecular FormulaC32H32FN9O4
Molecular Weight625.67 g/mol
Exact Mass625.26
IUPAC Nametert-butyl (2R)-2-[[3-cyano-4-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@@H](COc2cc(-c3ccc(NCc4ccc(-n5cc(F)cn5)nc4)nc3)c3c(C#N)cnn3c2)C1
InChIInChI=1S/C32H32FN9O4/c1-32(2,3)46-31(43)40-8-9-44-26(18-40)20-45-25-10-27(30-23(11-34)15-38-42(30)19-25)22-5-6-28(36-14-22)35-12-21-4-7-29(37-13-21)41-17-24(33)16-39-41/h4-7,10,13-17,19,26H,8-9,12,18,20H2,1-3H3,(H,35,36)/t26-/m1/s1
InChIKeyWQDVPELEAKZVRS-AREMUKBSSA-N
XLogP4.61
TPSA144.72 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.67
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze tert-butyl (2R)-2-[[3-cyano-4-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[3-cyano-4-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[3-cyano-4-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate (CID 166793045) is tert-butyl (2R)-2-[[3-cyano-4-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[3-cyano-4-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[3-cyano-4-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCO[C@@H](COc2cc(-c3ccc(NCc4ccc(-n5cc(F)cn5)nc4)nc3)c3c(C#N)cnn3c2)C1.
What is the InChIKey of tert-butyl (2R)-2-[[3-cyano-4-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate?
The InChIKey is WQDVPELEAKZVRS-AREMUKBSSA-N. The full InChI is InChI=1S/C32H32FN9O4/c1-32(2,3)46-31(43)40-8-9-44-26(18-40)20-45-25-10-27(30-23(11-34)15-38-42(30)19-25)22-5-6-28(36-14-22)35-12-21-4-7-29(37-13-21)41-17-24(33)16-39-41/h4-7,10,13-17,19,26H,8-9,12,18,20H2,1-3H3,(H,35,36)/t26-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[3-cyano-4-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate?
tert-butyl (2R)-2-[[3-cyano-4-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate has a molecular weight of 625.67 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[3-cyano-4-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate is sourced from PubChem (CID 166793045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).