N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide

C22H25N5O2 — CID 133110191

IUPACN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)C1CC(c2ccccn2)NN1
InChIInChI=1S/C22H25N5O2/c1-29-13-8-9-16-15(11-13)14-5-4-7-18(21(14)24-16)25-22(28)20-12-19(26-27-20)17-6-2-3-10-23-17/h2-3,6,8-11,18-20,24,26-27H,4-5,7,12H2,1H3,(H,25,28)
InChIKeyZAWRRVWSPOASRH-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.67
Rot. Bonds4

About N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide

N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide (PubChem CID 133110191) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide
PubChem CID133110191
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)C1CC(c2ccccn2)NN1
InChIInChI=1S/C22H25N5O2/c1-29-13-8-9-16-15(11-13)14-5-4-7-18(21(14)24-16)25-22(28)20-12-19(26-27-20)17-6-2-3-10-23-17/h2-3,6,8-11,18-20,24,26-27H,4-5,7,12H2,1H3,(H,25,28)
InChIKeyZAWRRVWSPOASRH-UHFFFAOYSA-N
XLogP2.67
TPSA91.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide
CID 97487908
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide
CID 75490269
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97489146
1-benzyl-3-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]urea
CID 125122907
N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide
CID 124877959
N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 99995344
1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea
CID 125122227
4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide
CID 110208093
5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide
CID 125432343
methyl (1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7055191
6-methoxy-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-methylindole-2-carboxamide
CID 125121929
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide
CID 75490555

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide (CID 133110191) is N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide is COc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)C1CC(c2ccccn2)NN1.
What is the InChIKey of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The InChIKey is ZAWRRVWSPOASRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-29-13-8-9-16-15(11-13)14-5-4-7-18(21(14)24-16)25-22(28)20-12-19(26-27-20)17-6-2-3-10-23-17/h2-3,6,8-11,18-20,24,26-27H,4-5,7,12H2,1H3,(H,25,28).
What are the key properties of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide?
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.67, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 133110191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).