2-[2-(2-carboxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C19H22N4O4 — CID 70785931

IUPAC2-[2-(2-carboxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)CCc1cc2n(n1)CCCN(c1nc3c(cc1C(=O)O)CCC3)C2
InChIInChI=1S/C19H22N4O4/c24-17(25)6-5-13-10-14-11-22(7-2-8-23(14)21-13)18-15(19(26)27)9-12-3-1-4-16(12)20-18/h9-10H,1-8,11H2,(H,24,25)(H,26,27)
InChIKeyXVXXADDIVWLUPQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.89
Rot. Bonds5

About 2-[2-(2-carboxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-[2-(2-carboxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 70785931) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[2-(2-carboxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-carboxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID70785931
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-[2-(2-carboxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)CCc1cc2n(n1)CCCN(c1nc3c(cc1C(=O)O)CCC3)C2
InChIInChI=1S/C19H22N4O4/c24-17(25)6-5-13-10-14-11-22(7-2-8-23(14)21-13)18-15(19(26)27)9-12-3-1-4-16(12)20-18/h9-10H,1-8,11H2,(H,24,25)(H,26,27)
InChIKeyXVXXADDIVWLUPQ-UHFFFAOYSA-N
XLogP1.89
TPSA108.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2-carboxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(6-piperidin-1-ylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 70762237
2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 106316899
3-[5-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 70711896
3-[5-(6-piperidin-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 70773203
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702331
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 115562370
3-[5-(3,4-difluorobenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 56906037
2-(4-cyclopropylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703221
2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703356
3-[5-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56882605
3-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 112547163
3-[5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 56912890

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-carboxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(2-carboxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 70785931) is 2-[2-(2-carboxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(2-carboxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(2-carboxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is O=C(O)CCc1cc2n(n1)CCCN(c1nc3c(cc1C(=O)O)CCC3)C2.
What is the InChIKey of 2-[2-(2-carboxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is XVXXADDIVWLUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c24-17(25)6-5-13-10-14-11-22(7-2-8-23(14)21-13)18-15(19(26)27)9-12-3-1-4-16(12)20-18/h9-10H,1-8,11H2,(H,24,25)(H,26,27).
What are the key properties of 2-[2-(2-carboxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-[2-(2-carboxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-carboxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 70785931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).