ethyl 4-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate

C23H32N6O3S — CID 26136364

IUPACethyl 4-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCc3c(c(C(=O)NCc4nccs4)nn3CC3CC3)C2)CC1
InChIInChI=1S/C23H32N6O3S/c1-2-32-23(31)27-9-5-17(6-10-27)28-11-7-19-18(15-28)21(26-29(19)14-16-3-4-16)22(30)25-13-20-24-8-12-33-20/h8,12,16-17H,2-7,9-11,13-15H2,1H3,(H,25,30)
InChIKeyIQHGDEUSKJHFKD-UHFFFAOYSA-N
MW472.62 g/mol
LogP2.66
Rot. Bonds7

About ethyl 4-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate

ethyl 4-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate (PubChem CID 26136364) has the molecular formula C23H32N6O3S and a molecular weight of 472.62 g/mol. Its IUPAC name is ethyl 4-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate
PubChem CID26136364
Molecular FormulaC23H32N6O3S
Molecular Weight472.62 g/mol
Exact Mass472.23
IUPAC Nameethyl 4-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCc3c(c(C(=O)NCc4nccs4)nn3CC3CC3)C2)CC1
InChIInChI=1S/C23H32N6O3S/c1-2-32-23(31)27-9-5-17(6-10-27)28-11-7-19-18(15-28)21(26-29(19)14-16-3-4-16)22(30)25-13-20-24-8-12-33-20/h8,12,16-17H,2-7,9-11,13-15H2,1H3,(H,25,30)
InChIKeyIQHGDEUSKJHFKD-UHFFFAOYSA-N
XLogP2.66
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.62
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(cyclopropylmethyl)-5-(2-phenoxyacetyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26230003
ethyl 4-[3-(benzylcarbamoyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate
CID 26232987
1-(cyclopropylmethyl)-5-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26224035
1-(cyclopropylmethyl)-5-[2-(3-methoxyphenyl)acetyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26134155
5-[2-(1,3-benzodioxol-5-yl)acetyl]-1-(cyclopropylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26231520
1-(cyclopropylmethyl)-5-(1H-indol-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26222853
1-(cyclopropylmethyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26223831
ethyl 1-benzyl-5-(1-ethoxycarbonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26220369
1-benzyl-5-(2-cyclopentylacetyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26213803
1-(cyclopropylmethyl)-5-[3-(4-methylphenyl)propanoyl]-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26143371
methyl 3-[[1-(cyclopropylmethyl)-5-(3-methylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate
CID 45161512
1-benzyl-5-(1H-pyrazol-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26232495

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate (CID 26136364) is ethyl 4-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCc3c(c(C(=O)NCc4nccs4)nn3CC3CC3)C2)CC1.
What is the InChIKey of ethyl 4-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate?
The InChIKey is IQHGDEUSKJHFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3S/c1-2-32-23(31)27-9-5-17(6-10-27)28-11-7-19-18(15-28)21(26-29(19)14-16-3-4-16)22(30)25-13-20-24-8-12-33-20/h8,12,16-17H,2-7,9-11,13-15H2,1H3,(H,25,30).
What are the key properties of ethyl 4-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate?
ethyl 4-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate has a molecular weight of 472.62 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 26136364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).