tert-butyl 3-(2-cyclopropyl-6-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate

C22H29N3O3 — CID 171530508

IUPACtert-butyl 3-(2-cyclopropyl-6-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCOc1cccc(C2CC2)c1-c1nn(C)c2c1CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C22H29N3O3/c1-22(2,3)28-21(26)25-12-11-17-16(13-25)20(23-24(17)4)19-15(14-9-10-14)7-6-8-18(19)27-5/h6-8,14H,9-13H2,1-5H3
InChIKeyUMJCXWGUVCXSKZ-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.27
Rot. Bonds3

About tert-butyl 3-(2-cyclopropyl-6-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate

tert-butyl 3-(2-cyclopropyl-6-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate (PubChem CID 171530508) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is tert-butyl 3-(2-cyclopropyl-6-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-cyclopropyl-6-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
PubChem CID171530508
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Nametert-butyl 3-(2-cyclopropyl-6-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCOc1cccc(C2CC2)c1-c1nn(C)c2c1CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C22H29N3O3/c1-22(2,3)28-21(26)25-12-11-17-16(13-25)20(23-24(17)4)19-15(14-9-10-14)7-6-8-18(19)27-5/h6-8,14H,9-13H2,1-5H3
InChIKeyUMJCXWGUVCXSKZ-UHFFFAOYSA-N
XLogP4.27
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-(2-cyclopropyl-6-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 168800083
tert-butyl 1-methyl-3-(2-propan-2-yl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 168800107
tert-butyl 1-benzyl-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 171530479
tert-butyl 1,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 58417776
tert-butyl 3-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 150729569
5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid
CID 154867968
tert-butyl 1-methyl-3-(prop-2-ynylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 176515422
tert-butyl 3-[[(2-chloroacetyl)amino]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 146095040
tert-butyl 4-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]piperidine-1-carboxylate
CID 90025783
tert-butyl 5-(1-methylpyrrolidin-3-yl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 20825950
tert-butyl 3-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]pyrrolidine-1-carboxylate
CID 175056416
tert-butyl 8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
CID 139316741

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-cyclopropyl-6-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 3-(2-cyclopropyl-6-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate (CID 171530508) is tert-butyl 3-(2-cyclopropyl-6-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-cyclopropyl-6-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 3-(2-cyclopropyl-6-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate is COc1cccc(C2CC2)c1-c1nn(C)c2c1CN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 3-(2-cyclopropyl-6-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
The InChIKey is UMJCXWGUVCXSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-22(2,3)28-21(26)25-12-11-17-16(13-25)20(23-24(17)4)19-15(14-9-10-14)7-6-8-18(19)27-5/h6-8,14H,9-13H2,1-5H3.
What are the key properties of tert-butyl 3-(2-cyclopropyl-6-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
tert-butyl 3-(2-cyclopropyl-6-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate has a molecular weight of 383.49 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-cyclopropyl-6-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 171530508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).