2-(1-ethylpyrazol-4-yl)sulfonyl-1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole

C19H24N4O2S — CID 131935677

IUPAC2-(1-ethylpyrazol-4-yl)sulfonyl-1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCCn1cc(S(=O)(=O)N2CCc3c([nH]c4ccccc34)C2C(C)C)cn1
InChIInChI=1S/C19H24N4O2S/c1-4-22-12-14(11-20-22)26(24,25)23-10-9-16-15-7-5-6-8-17(15)21-18(16)19(23)13(2)3/h5-8,11-13,19,21H,4,9-10H2,1-3H3
InChIKeyNYDNYQAXCKWQSJ-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.33
Rot. Bonds4

About 2-(1-ethylpyrazol-4-yl)sulfonyl-1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole

2-(1-ethylpyrazol-4-yl)sulfonyl-1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 131935677) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)sulfonyl-1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)sulfonyl-1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID131935677
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name2-(1-ethylpyrazol-4-yl)sulfonyl-1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCCn1cc(S(=O)(=O)N2CCc3c([nH]c4ccccc34)C2C(C)C)cn1
InChIInChI=1S/C19H24N4O2S/c1-4-22-12-14(11-20-22)26(24,25)23-10-9-16-15-7-5-6-8-17(15)21-18(16)19(23)13(2)3/h5-8,11-13,19,21H,4,9-10H2,1-3H3
InChIKeyNYDNYQAXCKWQSJ-UHFFFAOYSA-N
XLogP3.33
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methylpyrazol-4-yl)-1-(1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
CID 74248520
(1S)-1-methyl-2-(4-methylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 95988361
N,N-diethyl-4-[(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)sulfonyl]benzenesulfonamide
CID 23820201
(1-ethylpyrazol-4-yl)-[(1R)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
CID 25366234
(1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 11394043
tert-butyl 1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 11174482
(1S)-1-(4-chlorophenyl)-2-(4-propan-2-ylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 92870612
[6-(dimethylamino)-3-pyridinyl]-[(1S)-1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
CID 125169655
(1S)-N,N-diethyl-1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-sulfonamide
CID 97276849
1-methyl-5-[(1S)-1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl]pyrimidine-2,4-dione
CID 125174710
3-methyl-4-[(1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]-1,2,5-oxadiazole
CID 135108679
2-(4-tert-butylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 25118876

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)sulfonyl-1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)sulfonyl-1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 131935677) is 2-(1-ethylpyrazol-4-yl)sulfonyl-1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)sulfonyl-1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)sulfonyl-1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole is CCn1cc(S(=O)(=O)N2CCc3c([nH]c4ccccc34)C2C(C)C)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)sulfonyl-1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is NYDNYQAXCKWQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-4-22-12-14(11-20-22)26(24,25)23-10-9-16-15-7-5-6-8-17(15)21-18(16)19(23)13(2)3/h5-8,11-13,19,21H,4,9-10H2,1-3H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)sulfonyl-1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
2-(1-ethylpyrazol-4-yl)sulfonyl-1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 372.49 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)sulfonyl-1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 131935677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).