(2S)-1-[[2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-1H-indol-5-yl]methyl]piperidine-2-carboxylic acid

C24H23N5O3 — CID 135961862

IUPAC(2S)-1-[[2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-1H-indol-5-yl]methyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1Cc1ccc2[nH]c(-c3cc(-c4ccncc4)n[nH]c3=O)cc2c1
InChIInChI=1S/C24H23N5O3/c30-23-18(13-20(27-28-23)16-6-8-25-9-7-16)21-12-17-11-15(4-5-19(17)26-21)14-29-10-2-1-3-22(29)24(31)32/h4-9,11-13,22,26H,1-3,10,14H2,(H,28,30)(H,31,32)/t22-/m0/s1
InChIKeyDDXFCEAIKPNJRM-QFIPXVFZSA-N
MW429.48 g/mol
LogP3.42
Rot. Bonds5

About (2S)-1-[[2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-1H-indol-5-yl]methyl]piperidine-2-carboxylic acid

(2S)-1-[[2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-1H-indol-5-yl]methyl]piperidine-2-carboxylic acid (PubChem CID 135961862) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is (2S)-1-[[2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-1H-indol-5-yl]methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[[2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-1H-indol-5-yl]methyl]piperidine-2-carboxylic acid
PubChem CID135961862
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name(2S)-1-[[2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-1H-indol-5-yl]methyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1Cc1ccc2[nH]c(-c3cc(-c4ccncc4)n[nH]c3=O)cc2c1
InChIInChI=1S/C24H23N5O3/c30-23-18(13-20(27-28-23)16-6-8-25-9-7-16)21-12-17-11-15(4-5-19(17)26-21)14-29-10-2-1-3-22(29)24(31)32/h4-9,11-13,22,26H,1-3,10,14H2,(H,28,30)(H,31,32)/t22-/m0/s1
InChIKeyDDXFCEAIKPNJRM-QFIPXVFZSA-N
XLogP3.42
TPSA114.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[[2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-1H-indol-5-yl]methyl]piperidine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-(pyridin-4-ylmethyl)azepane-2-carboxylic acid
CID 64562578
5-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135687542
5-[5-[(dipropylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135961815
5-[6-[(1-propan-2-ylazocan-4-yl)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
CID 143135785
5-(5-propan-2-yl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135508253
(2S)-1-[(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
CID 51441049
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
(2S)-1-[(3-ethyl-4-hydroxyphenyl)methyl]piperidine-2-carboxylic acid
CID 134313054
1-[(3-chlorophenyl)methyl]azocane-2-carboxylic acid
CID 114239898
1-[(4-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 4021400
1-[(3,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 105404580
1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid
CID 65054111

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-1H-indol-5-yl]methyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[[2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-1H-indol-5-yl]methyl]piperidine-2-carboxylic acid (CID 135961862) is (2S)-1-[[2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-1H-indol-5-yl]methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[[2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-1H-indol-5-yl]methyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[[2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-1H-indol-5-yl]methyl]piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1Cc1ccc2[nH]c(-c3cc(-c4ccncc4)n[nH]c3=O)cc2c1.
What is the InChIKey of (2S)-1-[[2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-1H-indol-5-yl]methyl]piperidine-2-carboxylic acid?
The InChIKey is DDXFCEAIKPNJRM-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23N5O3/c30-23-18(13-20(27-28-23)16-6-8-25-9-7-16)21-12-17-11-15(4-5-19(17)26-21)14-29-10-2-1-3-22(29)24(31)32/h4-9,11-13,22,26H,1-3,10,14H2,(H,28,30)(H,31,32)/t22-/m0/s1.
What are the key properties of (2S)-1-[[2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-1H-indol-5-yl]methyl]piperidine-2-carboxylic acid?
(2S)-1-[[2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-1H-indol-5-yl]methyl]piperidine-2-carboxylic acid has a molecular weight of 429.48 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-1H-indol-5-yl]methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 135961862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).