N-formyl-4-[2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)benzo[cd]indol-1-yl]pentanamide

C24H21N5O3 — CID 155710612

IUPACN-formyl-4-[2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)benzo[cd]indol-1-yl]pentanamide
SMILESCC(CCC(=O)NC=O)N1C(=O)c2cccc3c(Nc4c[nH]c5ncccc45)ccc1c23
InChIInChI=1S/C24H21N5O3/c1-14(7-10-21(31)27-13-30)29-20-9-8-18(15-4-2-5-17(22(15)20)24(29)32)28-19-12-26-23-16(19)6-3-11-25-23/h2-6,8-9,11-14,28H,7,10H2,1H3,(H,25,26)(H,27,30,31)
InChIKeyXWXLKRFPJUOYID-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.86
Rot. Bonds7

About N-formyl-4-[2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)benzo[cd]indol-1-yl]pentanamide

N-formyl-4-[2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)benzo[cd]indol-1-yl]pentanamide (PubChem CID 155710612) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-formyl-4-[2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)benzo[cd]indol-1-yl]pentanamide.

Molecular Properties

Compound NameN-formyl-4-[2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)benzo[cd]indol-1-yl]pentanamide
PubChem CID155710612
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC NameN-formyl-4-[2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)benzo[cd]indol-1-yl]pentanamide
SMILESCC(CCC(=O)NC=O)N1C(=O)c2cccc3c(Nc4c[nH]c5ncccc45)ccc1c23
InChIInChI=1S/C24H21N5O3/c1-14(7-10-21(31)27-13-30)29-20-9-8-18(15-4-2-5-17(22(15)20)24(29)32)28-19-12-26-23-16(19)6-3-11-25-23/h2-6,8-9,11-14,28H,7,10H2,1H3,(H,25,26)(H,27,30,31)
InChIKeyXWXLKRFPJUOYID-UHFFFAOYSA-N
XLogP3.86
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-formyl-4-[9-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]pentanamide
CID 155710364
[1-[2-(5-formamido-5-oxopentan-2-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]cyclopropyl] formate
CID 155207775
N-formyl-4-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]pentanamide
CID 170097464
4-[6-[[4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]-N-formylpentanamide
CID 155207725
N-formyl-4-(4-hydroxy-1,3-dioxoisoindol-2-yl)pentanamide
CID 170244907
ethane;4-(5-ethyl-1,3-dioxobenzo[de]isoquinolin-2-yl)-N-formylpentanamide
CID 156802752
N-formyl-4-(3-methyl-4-methylidene-2-oxoindol-1-yl)pentanamide
CID 167469919
4-(1,3-dioxo-5-propan-2-ylisoindol-2-yl)-N-formylpentanamide
CID 154684223
N-formyl-4-[7-[1-[(3-morpholin-4-ylsulfanylphenyl)methyl]piperidin-4-yl]-3-oxo-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-2-yl]pentanamide
CID 163258925
4-[4-(4-aminobutoxy)-1,3-dioxoisoindol-2-yl]-N-formylpentanamide;propane
CID 145256251
4-[4-[2-[[4-(aminomethyl)phenyl]methylamino]-2-oxoethoxy]-1,3-dioxoisoindol-2-yl]-N-formylpentanamide;buta-1,3-diene
CID 145256263
4-[1,3-dioxo-4-[2-oxo-2-(10-oxodecylamino)ethoxy]isoindol-2-yl]-N-formylpentanamide
CID 155057033

Frequently Asked Questions

What is the IUPAC name of N-formyl-4-[2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)benzo[cd]indol-1-yl]pentanamide?
The IUPAC name of N-formyl-4-[2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)benzo[cd]indol-1-yl]pentanamide (CID 155710612) is N-formyl-4-[2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)benzo[cd]indol-1-yl]pentanamide.
What is the SMILES notation for N-formyl-4-[2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)benzo[cd]indol-1-yl]pentanamide?
The canonical SMILES for N-formyl-4-[2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)benzo[cd]indol-1-yl]pentanamide is CC(CCC(=O)NC=O)N1C(=O)c2cccc3c(Nc4c[nH]c5ncccc45)ccc1c23.
What is the InChIKey of N-formyl-4-[2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)benzo[cd]indol-1-yl]pentanamide?
The InChIKey is XWXLKRFPJUOYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-14(7-10-21(31)27-13-30)29-20-9-8-18(15-4-2-5-17(22(15)20)24(29)32)28-19-12-26-23-16(19)6-3-11-25-23/h2-6,8-9,11-14,28H,7,10H2,1H3,(H,25,26)(H,27,30,31).
What are the key properties of N-formyl-4-[2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)benzo[cd]indol-1-yl]pentanamide?
N-formyl-4-[2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)benzo[cd]indol-1-yl]pentanamide has a molecular weight of 427.46 g/mol, XLogP of 3.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-4-[2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)benzo[cd]indol-1-yl]pentanamide is sourced from PubChem (CID 155710612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).