3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-10-oxo-5H-indeno[1,2-b]indole-7-carbonitrile

C24H21N5O — CID 127052428

IUPAC3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-10-oxo-5H-indeno[1,2-b]indole-7-carbonitrile
SMILESCN(C)CCCn1cc(-c2ccc3c(c2)-c2[nH]c4cc(C#N)ccc4c2C3=O)cn1
InChIInChI=1S/C24H21N5O/c1-28(2)8-3-9-29-14-17(13-26-29)16-5-7-18-20(11-16)23-22(24(18)30)19-6-4-15(12-25)10-21(19)27-23/h4-7,10-11,13-14,27H,3,8-9H2,1-2H3
InChIKeyRXBYMWXTXVDMET-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.07
Rot. Bonds5

About 3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-10-oxo-5H-indeno[1,2-b]indole-7-carbonitrile

3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-10-oxo-5H-indeno[1,2-b]indole-7-carbonitrile (PubChem CID 127052428) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-10-oxo-5H-indeno[1,2-b]indole-7-carbonitrile.

Molecular Properties

Compound Name3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-10-oxo-5H-indeno[1,2-b]indole-7-carbonitrile
PubChem CID127052428
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-10-oxo-5H-indeno[1,2-b]indole-7-carbonitrile
SMILESCN(C)CCCn1cc(-c2ccc3c(c2)-c2[nH]c4cc(C#N)ccc4c2C3=O)cn1
InChIInChI=1S/C24H21N5O/c1-28(2)8-3-9-29-14-17(13-26-29)16-5-7-18-20(11-16)23-22(24(18)30)19-6-4-15(12-25)10-21(19)27-23/h4-7,10-11,13-14,27H,3,8-9H2,1-2H3
InChIKeyRXBYMWXTXVDMET-UHFFFAOYSA-N
XLogP4.07
TPSA77.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-10-oxo-5H-indeno[1,2-b]indole-7-carbonitrile with MolForge

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Related Compounds

2-[4-(7-cyano-10-oxo-5H-indeno[1,2-b]indol-2-yl)pyrazol-1-yl]-N-methylacetamide
CID 127051474
3-(1-methylpyrazol-4-yl)-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one
CID 127049934
2-[4-(3-cyano-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]-N,N-dimethylacetamide
CID 127037084
11-oxo-5,6-dihydrobenzo[b]carbazole-3-carbonitrile
CID 90238920
4-(1-butylpyrazol-4-yl)-3-(trifluoromethyl)benzonitrile
CID 170855207
3-methoxy-4-[1-(2-methoxyethyl)pyrazol-4-yl]benzonitrile
CID 172914750
20-[3-(dimethylamino)propyl]-11,19-dioxo-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-16-carbonitrile
CID 71544868
6-cyano-2-[2-[3-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-4-ethylphenyl]propan-2-yl]-1H-indole-3-carboxylic acid
CID 127037291
tert-butyl N-[3-[4-[4-cyano-2-(trifluoromethoxy)phenyl]pyrazol-1-yl]propyl]carbamate
CID 172914782
5H-indeno[1,2-b]indol-10-one
CID 2785776
N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine
CID 62769889
9-bromo-11,11-dimethyl-6-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 141372029

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-10-oxo-5H-indeno[1,2-b]indole-7-carbonitrile?
The IUPAC name of 3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-10-oxo-5H-indeno[1,2-b]indole-7-carbonitrile (CID 127052428) is 3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-10-oxo-5H-indeno[1,2-b]indole-7-carbonitrile.
What is the SMILES notation for 3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-10-oxo-5H-indeno[1,2-b]indole-7-carbonitrile?
The canonical SMILES for 3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-10-oxo-5H-indeno[1,2-b]indole-7-carbonitrile is CN(C)CCCn1cc(-c2ccc3c(c2)-c2[nH]c4cc(C#N)ccc4c2C3=O)cn1.
What is the InChIKey of 3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-10-oxo-5H-indeno[1,2-b]indole-7-carbonitrile?
The InChIKey is RXBYMWXTXVDMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-28(2)8-3-9-29-14-17(13-26-29)16-5-7-18-20(11-16)23-22(24(18)30)19-6-4-15(12-25)10-21(19)27-23/h4-7,10-11,13-14,27H,3,8-9H2,1-2H3.
What are the key properties of 3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-10-oxo-5H-indeno[1,2-b]indole-7-carbonitrile?
3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-10-oxo-5H-indeno[1,2-b]indole-7-carbonitrile has a molecular weight of 395.47 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-10-oxo-5H-indeno[1,2-b]indole-7-carbonitrile is sourced from PubChem (CID 127052428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).