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

C20H28N4O2 — CID 168800107

IUPACtert-butyl 1-methyl-3-(2-propan-2-yl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCC(C)c1ncccc1-c1nn(C)c2c1CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C20H28N4O2/c1-13(2)17-14(8-7-10-21-17)18-15-12-24(19(25)26-20(3,4)5)11-9-16(15)23(6)22-18/h7-8,10,13H,9,11-12H2,1-6H3
InChIKeyZFXPFVKAGBGQIM-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.90
Rot. Bonds2

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

tert-butyl 1-methyl-3-(2-propan-2-yl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate (PubChem CID 168800107) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is tert-butyl 1-methyl-3-(2-propan-2-yl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-methyl-3-(2-propan-2-yl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
PubChem CID168800107
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Nametert-butyl 1-methyl-3-(2-propan-2-yl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCC(C)c1ncccc1-c1nn(C)c2c1CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C20H28N4O2/c1-13(2)17-14(8-7-10-21-17)18-15-12-24(19(25)26-20(3,4)5)11-9-16(15)23(6)22-18/h7-8,10,13H,9,11-12H2,1-6H3
InChIKeyZFXPFVKAGBGQIM-UHFFFAOYSA-N
XLogP3.90
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(2-cyclopropyl-6-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 171530508
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 1,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 58417776
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-(2-methyl-4,5-dihydrobenzo[g]indazol-3-yl)piperazine-1-carboxylate
CID 18706819
tert-butyl 1-methyl-3-(prop-2-ynylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 176515422
tert-butyl 1-[1-(2-bromo-3-pyridinyl)ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxylate
CID 138484435
tert-butyl 4-iodo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 130120542
tert-butyl 1-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 86719808
tert-butyl 4-[1-(3-chloro-2-pyridinyl)ethyl]piperazine-1-carboxylate
CID 77441244
8-[(2-methylpropan-2-yl)oxycarbonyl]-4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaene-5-carboxylic acid
CID 142785142
tert-butyl 5-(2-methylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
CID 156776138

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-methyl-3-(2-propan-2-yl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 1-methyl-3-(2-propan-2-yl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate (CID 168800107) is tert-butyl 1-methyl-3-(2-propan-2-yl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 1-methyl-3-(2-propan-2-yl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 1-methyl-3-(2-propan-2-yl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate is CC(C)c1ncccc1-c1nn(C)c2c1CN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 1-methyl-3-(2-propan-2-yl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
The InChIKey is ZFXPFVKAGBGQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-13(2)17-14(8-7-10-21-17)18-15-12-24(19(25)26-20(3,4)5)11-9-16(15)23(6)22-18/h7-8,10,13H,9,11-12H2,1-6H3.
What are the key properties of tert-butyl 1-methyl-3-(2-propan-2-yl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
tert-butyl 1-methyl-3-(2-propan-2-yl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate has a molecular weight of 356.47 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-methyl-3-(2-propan-2-yl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 168800107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).