5-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

C20H27N5O2 — CID 56709625

IUPAC5-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c2c1CCC(N1CCc3[nH]nc(C4CCC4)c3C1)C2
InChIInChI=1S/C20H27N5O2/c1-2-25-17-7-6-13(10-14(17)19(23-25)20(26)27)24-9-8-16-15(11-24)18(22-21-16)12-4-3-5-12/h12-13H,2-11H2,1H3,(H,21,22)(H,26,27)
InChIKeyPCJIVJMUJQSMRL-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.51
Rot. Bonds4

About 5-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

5-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 56709625) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 5-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID56709625
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name5-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c2c1CCC(N1CCc3[nH]nc(C4CCC4)c3C1)C2
InChIInChI=1S/C20H27N5O2/c1-2-25-17-7-6-13(10-14(17)19(23-25)20(26)27)24-9-8-16-15(11-24)18(22-21-16)12-4-3-5-12/h12-13H,2-11H2,1H3,(H,21,22)(H,26,27)
InChIKeyPCJIVJMUJQSMRL-UHFFFAOYSA-N
XLogP2.51
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid with MolForge

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Related Compounds

5-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56717493
5-[4-(acetamidomethyl)piperidin-1-yl]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56704147
5-(azocan-1-yl)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45163019
1-ethyl-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56703728
(5S)-5-(azepan-1-yl)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95219491
(1-ethyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazol-3-yl)-piperidin-1-ylmethanone
CID 45164151
5-(2-azaspiro[4.4]nonan-2-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 70717448
1-ethyl-5-(ethylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56723540
(5R)-5-(azepan-1-yl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95217770
5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56718878
(5R)-1-ethyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95206034
1-ethyl-5-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56710092

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of 5-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 56709625) is 5-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for 5-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is CCn1nc(C(=O)O)c2c1CCC(N1CCc3[nH]nc(C4CCC4)c3C1)C2.
What is the InChIKey of 5-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is PCJIVJMUJQSMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-2-25-17-7-6-13(10-14(17)19(23-25)20(26)27)24-9-8-16-15(11-24)18(22-21-16)12-4-3-5-12/h12-13H,2-11H2,1H3,(H,21,22)(H,26,27).
What are the key properties of 5-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
5-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 369.47 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 56709625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).