(3R)-2-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H25N5O3 — CID 95723523

IUPAC(3R)-2-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCN1CCc2[nH]nc(C(=O)N3CC4(CCNCC4)C[C@@H]3C(=O)O)c2C1
InChIInChI=1S/C17H25N5O3/c1-21-7-2-12-11(9-21)14(20-19-12)15(23)22-10-17(3-5-18-6-4-17)8-13(22)16(24)25/h13,18H,2-10H2,1H3,(H,19,20)(H,24,25)/t13-/m1/s1
InChIKeyBUHPBIJUCHHURX-CYBMUJFWSA-N
MW347.42 g/mol
LogP0.07
Rot. Bonds2

About (3R)-2-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3R)-2-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95723523) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is (3R)-2-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-2-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID95723523
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name(3R)-2-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCN1CCc2[nH]nc(C(=O)N3CC4(CCNCC4)C[C@@H]3C(=O)O)c2C1
InChIInChI=1S/C17H25N5O3/c1-21-7-2-12-11(9-21)14(20-19-12)15(23)22-10-17(3-5-18-6-4-17)8-13(22)16(24)25/h13,18H,2-10H2,1H3,(H,19,20)(H,24,25)/t13-/m1/s1
InChIKeyBUHPBIJUCHHURX-CYBMUJFWSA-N
XLogP0.07
TPSA101.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3R)-2-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95723523) is (3R)-2-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3R)-2-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3R)-2-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CN1CCc2[nH]nc(C(=O)N3CC4(CCNCC4)C[C@@H]3C(=O)O)c2C1.
What is the InChIKey of (3R)-2-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is BUHPBIJUCHHURX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-21-7-2-12-11(9-21)14(20-19-12)15(23)22-10-17(3-5-18-6-4-17)8-13(22)16(24)25/h13,18H,2-10H2,1H3,(H,19,20)(H,24,25)/t13-/m1/s1.
What are the key properties of (3R)-2-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3R)-2-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95723523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).