3-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]-N-methylpropanamide

C19H21Cl2N5O3S — CID 170427719

IUPAC3-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]-N-methylpropanamide
SMILESCNC(=O)CCS(=O)(=O)NC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C19H21Cl2N5O3S/c1-22-16(27)6-7-30(28,29)25-12-2-5-15-17(11-8-23-24-9-11)13-3-4-14(20)18(21)19(13)26(15)10-12/h3-4,8-9,12,25H,2,5-7,10H2,1H3,(H,22,27)(H,23,24)
InChIKeyZFXPEWMECMQDDS-UHFFFAOYSA-N
MW470.38 g/mol
LogP2.71
Rot. Bonds6

About 3-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]-N-methylpropanamide

3-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]-N-methylpropanamide (PubChem CID 170427719) has the molecular formula C19H21Cl2N5O3S and a molecular weight of 470.38 g/mol. Its IUPAC name is 3-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]-N-methylpropanamide
PubChem CID170427719
Molecular FormulaC19H21Cl2N5O3S
Molecular Weight470.38 g/mol
Exact Mass469.07
IUPAC Name3-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]-N-methylpropanamide
SMILESCNC(=O)CCS(=O)(=O)NC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C19H21Cl2N5O3S/c1-22-16(27)6-7-30(28,29)25-12-2-5-15-17(11-8-23-24-9-11)13-3-4-14(20)18(21)19(13)26(15)10-12/h3-4,8-9,12,25H,2,5-7,10H2,1H3,(H,22,27)(H,23,24)
InChIKeyZFXPEWMECMQDDS-UHFFFAOYSA-N
XLogP2.71
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.38
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl]-1-ethylpyrrolidin-2-one
CID 170427318
6,7-dichloro-10-(1H-pyrazol-4-yl)-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one
CID 170426767
7,8-dichloro-N-methyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine;2-hydroxyacetaldehyde
CID 170609984
1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone
CID 170610201
2-amino-1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;hydrochloride
CID 170426674
6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 170427637
6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 170427165
N-[4-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-4-oxobutyl]-N-(2-hydroxyethyl)acetamide
CID 170609884
[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methanamine
CID 170426868
(2S)-1-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indole-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 170427566
methyl (2S,4S)-1-[7,8-dichloro-4-(1H-pyrazol-4-yl)quinolin-2-yl]-4-hydroxypyrrolidine-2-carboxylate
CID 167396110
(2S,4S)-1-[7,8-dichloro-4-(1H-pyrazol-4-yl)quinolin-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 167396137

Frequently Asked Questions

What is the IUPAC name of 3-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]-N-methylpropanamide?
The IUPAC name of 3-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]-N-methylpropanamide (CID 170427719) is 3-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]-N-methylpropanamide.
What is the SMILES notation for 3-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]-N-methylpropanamide?
The canonical SMILES for 3-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]-N-methylpropanamide is CNC(=O)CCS(=O)(=O)NC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1.
What is the InChIKey of 3-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]-N-methylpropanamide?
The InChIKey is ZFXPEWMECMQDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5O3S/c1-22-16(27)6-7-30(28,29)25-12-2-5-15-17(11-8-23-24-9-11)13-3-4-14(20)18(21)19(13)26(15)10-12/h3-4,8-9,12,25H,2,5-7,10H2,1H3,(H,22,27)(H,23,24).
What are the key properties of 3-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]-N-methylpropanamide?
3-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]-N-methylpropanamide has a molecular weight of 470.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]-N-methylpropanamide is sourced from PubChem (CID 170427719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).