N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide

C28H31N7O2 — CID 118696313

IUPACN-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc5cn[nH]c5c4)cc32)c1C
InChIInChI=1S/C28H31N7O2/c1-5-35(6-2)10-9-29-28(37)26-16(3)23(32-17(26)4)13-21-20-11-18(7-8-22(20)33-27(21)36)19-12-24-25(30-14-19)15-31-34-24/h7-8,11-15,32H,5-6,9-10H2,1-4H3,(H,29,37)(H,31,34)(H,33,36)/b21-13-
InChIKeyIRMNOKMHMNVKHP-BKUYFWCQSA-N
MW497.60 g/mol
LogP4.13
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide

N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide (PubChem CID 118696313) has the molecular formula C28H31N7O2 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
PubChem CID118696313
Molecular FormulaC28H31N7O2
Molecular Weight497.60 g/mol
Exact Mass497.25
IUPAC NameN-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc5cn[nH]c5c4)cc32)c1C
InChIInChI=1S/C28H31N7O2/c1-5-35(6-2)10-9-29-28(37)26-16(3)23(32-17(26)4)13-21-20-11-18(7-8-22(20)33-27(21)36)19-12-24-25(30-14-19)15-31-34-24/h7-8,11-15,32H,5-6,9-10H2,1-4H3,(H,29,37)(H,31,34)(H,33,36)/b21-13-
InChIKeyIRMNOKMHMNVKHP-BKUYFWCQSA-N
XLogP4.13
TPSA118.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide with MolForge

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Related Compounds

N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
N-{1-[(1s)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259491
N-{1-[(1r)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259555
N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381061
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280160
N-[2-(dimethylamino)ethyl]-1H-pyrazolo[5,4-a]phenazine-10-carboxamide
CID 9902222
1-Methyl-1H-pyrazolo[3,4-alpha]phenazine-10-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 9946290
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 15958784
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 15958785
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 15958786

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide (CID 118696313) is N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide is CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc5cn[nH]c5c4)cc32)c1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is IRMNOKMHMNVKHP-BKUYFWCQSA-N. The full InChI is InChI=1S/C28H31N7O2/c1-5-35(6-2)10-9-29-28(37)26-16(3)23(32-17(26)4)13-21-20-11-18(7-8-22(20)33-27(21)36)19-12-24-25(30-14-19)15-31-34-24/h7-8,11-15,32H,5-6,9-10H2,1-4H3,(H,29,37)(H,31,34)(H,33,36)/b21-13-.
What are the key properties of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?
N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 4.13, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 118696313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).