N-butyl-4-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indole-1-carboxamide;N-butyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indole-1-carboxamide;4-formyl-N-propylindole-1-carboxamide;1H-indole-4-carbaldehyde;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine

C86H78N16O7 — CID 158230529

IUPACN-butyl-4-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indole-1-carboxamide;N-butyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indole-1-carboxamide;4-formyl-N-propylindole-1-carboxamide;1H-indole-4-carbaldehyde;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCCCCNC(=O)n1ccc2c(C(=O)c3c[nH]c4ncc(-c5cccnc5)cc34)cccc21.CCCCNC(=O)n1ccc2c(C(O)c3c[nH]c4ncc(-c5cccnc5)cc34)cccc21.CCCNC(=O)n1ccc2c(C=O)cccc21.O=Cc1cccc2[nH]ccc12.c1cncc(-c2cnc3[nH]ccc3c2)c1
InChIInChI=1S/C26H25N5O2.C26H23N5O2.C13H14N2O2.C12H9N3.C9H7NO/c2*1-2-3-11-28-26(33)31-12-9-19-20(7-4-8-23(19)31)24(32)22-16-30-25-21(22)13-18(15-29-25)17-6-5-10-27-14-17;1-2-7-14-13(17)15-8-6-11-10(9-16)4-3-5-12(11)15;1-2-10(7-13-4-1)11-6-9-3-5-14-12(9)15-8-11;11-6-7-2-1-3-9-8(7)4-5-10-9/h4-10,12-16,24,32H,2-3,11H2,1H3,(H,28,33)(H,29,30);4-10,12-16H,2-3,11H2,1H3,(H,28,33)(H,29,30);3-6,8-9H,2,7H2,1H3,(H,14,17);1-8H,(H,14,15);1-6,10H
InChIKeyGEICVYBZFOFDPE-UHFFFAOYSA-N
MW1447.67 g/mol
LogP17.21
Rot. Bonds17

About N-butyl-4-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indole-1-carboxamide;N-butyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indole-1-carboxamide;4-formyl-N-propylindole-1-carboxamide;1H-indole-4-carbaldehyde;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine

N-butyl-4-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indole-1-carboxamide;N-butyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indole-1-carboxamide;4-formyl-N-propylindole-1-carboxamide;1H-indole-4-carbaldehyde;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158230529) has the molecular formula C86H78N16O7 and a molecular weight of 1447.67 g/mol. Its IUPAC name is N-butyl-4-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indole-1-carboxamide;N-butyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indole-1-carboxamide;4-formyl-N-propylindole-1-carboxamide;1H-indole-4-carbaldehyde;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound NameN-butyl-4-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indole-1-carboxamide;N-butyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indole-1-carboxamide;4-formyl-N-propylindole-1-carboxamide;1H-indole-4-carbaldehyde;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID158230529
Molecular FormulaC86H78N16O7
Molecular Weight1447.67 g/mol
Exact Mass1446.62
IUPAC NameN-butyl-4-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indole-1-carboxamide;N-butyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indole-1-carboxamide;4-formyl-N-propylindole-1-carboxamide;1H-indole-4-carbaldehyde;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCCCCNC(=O)n1ccc2c(C(=O)c3c[nH]c4ncc(-c5cccnc5)cc34)cccc21.CCCCNC(=O)n1ccc2c(C(O)c3c[nH]c4ncc(-c5cccnc5)cc34)cccc21.CCCNC(=O)n1ccc2c(C=O)cccc21.O=Cc1cccc2[nH]ccc12.c1cncc(-c2cnc3[nH]ccc3c2)c1
InChIInChI=1S/C26H25N5O2.C26H23N5O2.C13H14N2O2.C12H9N3.C9H7NO/c2*1-2-3-11-28-26(33)31-12-9-19-20(7-4-8-23(19)31)24(32)22-16-30-25-21(22)13-18(15-29-25)17-6-5-10-27-14-17;1-2-7-14-13(17)15-8-6-11-10(9-16)4-3-5-12(11)15;1-2-10(7-13-4-1)11-6-9-3-5-14-12(9)15-8-11;11-6-7-2-1-3-9-8(7)4-5-10-9/h4-10,12-16,24,32H,2-3,11H2,1H3,(H,28,33)(H,29,30);4-10,12-16H,2-3,11H2,1H3,(H,28,33)(H,29,30);3-6,8-9H,2,7H2,1H3,(H,14,17);1-8H,(H,14,15);1-6,10H
InChIKeyGEICVYBZFOFDPE-UHFFFAOYSA-N
XLogP17.21
TPSA314.03 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001447.67
LogP ≤ 517.21
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-butyl-4-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indole-1-carboxamide;N-butyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indole-1-carboxamide;4-formyl-N-propylindole-1-carboxamide;1H-indole-4-carbaldehyde;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

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CID 158927257
(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanone;3-[[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine
CID 160766513
7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-phenyl-1H-indol-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 161263200
6-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-[5-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]pyridine-3-carboxamide
CID 72202347
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[9-[4-[2-[4-[1,8-Dimethyl-3,6-bis(2,4,5-trimethyl-1-phenylpyrrole-3-carbonyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]-6-[hydroxy-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methyl]-1,8-dimethylcarbazol-3-yl]-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methanone
CID 126725459
7-[[6-[[(3R)-3-hydroxy-4-[4-[7-[[6-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridin-7-ium-7-yl]pyrrolidin-1-yl]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156652042
Acetic acid;3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ethane;tetrakis(formonitrile);hydroperoxyethane;methane;2-methylpyridine;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;pyridine;tris(2-pyridin-2-ylpyridine);ruthenium;ZINC
CID 157062088
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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indole-1-carboxamide;N-butyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indole-1-carboxamide;4-formyl-N-propylindole-1-carboxamide;1H-indole-4-carbaldehyde;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of N-butyl-4-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indole-1-carboxamide;N-butyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indole-1-carboxamide;4-formyl-N-propylindole-1-carboxamide;1H-indole-4-carbaldehyde;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine (CID 158230529) is N-butyl-4-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indole-1-carboxamide;N-butyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indole-1-carboxamide;4-formyl-N-propylindole-1-carboxamide;1H-indole-4-carbaldehyde;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for N-butyl-4-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indole-1-carboxamide;N-butyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indole-1-carboxamide;4-formyl-N-propylindole-1-carboxamide;1H-indole-4-carbaldehyde;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for N-butyl-4-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indole-1-carboxamide;N-butyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indole-1-carboxamide;4-formyl-N-propylindole-1-carboxamide;1H-indole-4-carbaldehyde;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine is CCCCNC(=O)n1ccc2c(C(=O)c3c[nH]c4ncc(-c5cccnc5)cc34)cccc21.CCCCNC(=O)n1ccc2c(C(O)c3c[nH]c4ncc(-c5cccnc5)cc34)cccc21.CCCNC(=O)n1ccc2c(C=O)cccc21.O=Cc1cccc2[nH]ccc12.c1cncc(-c2cnc3[nH]ccc3c2)c1.
What is the InChIKey of N-butyl-4-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indole-1-carboxamide;N-butyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indole-1-carboxamide;4-formyl-N-propylindole-1-carboxamide;1H-indole-4-carbaldehyde;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GEICVYBZFOFDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2.C26H23N5O2.C13H14N2O2.C12H9N3.C9H7NO/c2*1-2-3-11-28-26(33)31-12-9-19-20(7-4-8-23(19)31)24(32)22-16-30-25-21(22)13-18(15-29-25)17-6-5-10-27-14-17;1-2-7-14-13(17)15-8-6-11-10(9-16)4-3-5-12(11)15;1-2-10(7-13-4-1)11-6-9-3-5-14-12(9)15-8-11;11-6-7-2-1-3-9-8(7)4-5-10-9/h4-10,12-16,24,32H,2-3,11H2,1H3,(H,28,33)(H,29,30);4-10,12-16H,2-3,11H2,1H3,(H,28,33)(H,29,30);3-6,8-9H,2,7H2,1H3,(H,14,17);1-8H,(H,14,15);1-6,10H.
What are the key properties of N-butyl-4-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indole-1-carboxamide;N-butyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indole-1-carboxamide;4-formyl-N-propylindole-1-carboxamide;1H-indole-4-carbaldehyde;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
N-butyl-4-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indole-1-carboxamide;N-butyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indole-1-carboxamide;4-formyl-N-propylindole-1-carboxamide;1H-indole-4-carbaldehyde;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1447.67 g/mol, XLogP of 17.21, 17 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indole-1-carboxamide;N-butyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indole-1-carboxamide;4-formyl-N-propylindole-1-carboxamide;1H-indole-4-carbaldehyde;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158230529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).