(1-methyl-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone

C20H25N3O — CID 134075238

IUPAC(1-methyl-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1cc2c(c3ccccc3n2C(C)C)n1C
InChIInChI=1S/C20H25N3O/c1-13(2)23-16-10-6-5-9-15(16)19-17(23)12-18(21(19)4)20(24)22-11-7-8-14(22)3/h5-6,9-10,12-14H,7-8,11H2,1-4H3
InChIKeyUQSBYYVNWYFNSF-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.34
Rot. Bonds2

About (1-methyl-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone

(1-methyl-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 134075238) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (1-methyl-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methyl-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
PubChem CID134075238
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(1-methyl-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1cc2c(c3ccccc3n2C(C)C)n1C
InChIInChI=1S/C20H25N3O/c1-13(2)23-16-10-6-5-9-15(16)19-17(23)12-18(21(19)4)20(24)22-11-7-8-14(22)3/h5-6,9-10,12-14H,7-8,11H2,1-4H3
InChIKeyUQSBYYVNWYFNSF-UHFFFAOYSA-N
XLogP4.34
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 131654461
N,N,4-trimethyl-2-(2-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide
CID 131643767
N,N,4-trimethyl-2-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolo[3,2-b]indole-1-carboxamide
CID 97441841
1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid
CID 124544362
[1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(oxazinan-2-yl)methanone
CID 97361353
N,1-dimethyl-4-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-b]indole-2-carboxamide
CID 97441932
[4-(cyclopropylmethyl)-1-methylpyrrolo[3,2-b]indol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 155838905
N-[2-(dimethylamino)ethyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155855918
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
(1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 18711813
[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 174598087
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578

Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (1-methyl-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone (CID 134075238) is (1-methyl-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (1-methyl-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (1-methyl-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone is CC1CCCN1C(=O)c1cc2c(c3ccccc3n2C(C)C)n1C.
What is the InChIKey of (1-methyl-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is UQSBYYVNWYFNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-13(2)23-16-10-6-5-9-15(16)19-17(23)12-18(21(19)4)20(24)22-11-7-8-14(22)3/h5-6,9-10,12-14H,7-8,11H2,1-4H3.
What are the key properties of (1-methyl-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone?
(1-methyl-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 323.44 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 134075238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).