methyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-4-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylate

C27H28N4O5 — CID 171798912

IUPACmethyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-4-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2c(-c3ccnc(N(C)C(=O)OC(C)(C)C)c3)ccc(OCc3ccccc3)c12
InChIInChI=1S/C27H28N4O5/c1-27(2,3)36-26(33)30(4)23-15-19(13-14-28-23)21-11-12-22(35-17-18-9-7-6-8-10-18)24-20(25(32)34-5)16-29-31(21)24/h6-16H,17H2,1-5H3
InChIKeyGGZNPXQGZSAWPZ-UHFFFAOYSA-N
MW488.54 g/mol
LogP5.13
Rot. Bonds6

About methyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-4-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylate

methyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-4-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 171798912) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is methyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-4-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-4-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID171798912
Molecular FormulaC27H28N4O5
Molecular Weight488.54 g/mol
Exact Mass488.21
IUPAC Namemethyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-4-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2c(-c3ccnc(N(C)C(=O)OC(C)(C)C)c3)ccc(OCc3ccccc3)c12
InChIInChI=1S/C27H28N4O5/c1-27(2,3)36-26(33)30(4)23-15-19(13-14-28-23)21-11-12-22(35-17-18-9-7-6-8-10-18)24-20(25(32)34-5)16-29-31(21)24/h6-16H,17H2,1-5H3
InChIKeyGGZNPXQGZSAWPZ-UHFFFAOYSA-N
XLogP5.13
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.54
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-4-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylate with MolForge

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Related Compounds

tert-butyl N-methyl-N-[4-(methylaminooxymethyl)-2-pyridinyl]carbamate
CID 143799585
tert-butyl 1-methyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]-4-pyridinyl]-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate
CID 90134026
5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-phenylmethoxybenzoic acid
CID 171385087
tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N-methylcarbamate
CID 23150978
methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-2-carboxylate
CID 178148128
methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
CID 141491385
tert-butyl N-(4-acetyl-2-pyridinyl)-N-methylcarbamate
CID 70946479
methyl 3-hydroxy-1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-8-phenylmethoxynaphthalene-2-carboxylate
CID 132503978
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
CID 164892253
tert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate
CID 166524697
dimethyl 5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-phenylpyridine-2,3-dicarboxylate
CID 118411497

Frequently Asked Questions

What is the IUPAC name of methyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-4-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-4-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylate (CID 171798912) is methyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-4-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-4-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-4-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1cnn2c(-c3ccnc(N(C)C(=O)OC(C)(C)C)c3)ccc(OCc3ccccc3)c12.
What is the InChIKey of methyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-4-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is GGZNPXQGZSAWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5/c1-27(2,3)36-26(33)30(4)23-15-19(13-14-28-23)21-11-12-22(35-17-18-9-7-6-8-10-18)24-20(25(32)34-5)16-29-31(21)24/h6-16H,17H2,1-5H3.
What are the key properties of methyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-4-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-4-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 488.54 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-4-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 171798912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).