formic acid;6-(morpholin-4-ylmethyl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-isoindol-4-yl]pyridine-2-carboxamide

C27H26N6O4 — CID 160856865

IUPACformic acid;6-(morpholin-4-ylmethyl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-isoindol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2ccnc3[nH]ccc23)cc2c1C=NC2)c1cccc(CN2CCOCC2)n1.O=CO
InChIInChI=1S/C26H24N6O2.CH2O2/c33-26(23-3-1-2-19(30-23)16-32-8-10-34-11-9-32)31-24-13-17(12-18-14-27-15-22(18)24)20-4-6-28-25-21(20)5-7-29-25;2-1-3/h1-7,12-13,15H,8-11,14,16H2,(H,28,29)(H,31,33);1H,(H,2,3)
InChIKeySJYWBKSRIOENDQ-UHFFFAOYSA-N
MW498.54 g/mol
LogP3.34
Rot. Bonds5

About formic acid;6-(morpholin-4-ylmethyl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-isoindol-4-yl]pyridine-2-carboxamide

formic acid;6-(morpholin-4-ylmethyl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-isoindol-4-yl]pyridine-2-carboxamide (PubChem CID 160856865) has the molecular formula C27H26N6O4 and a molecular weight of 498.54 g/mol. Its IUPAC name is formic acid;6-(morpholin-4-ylmethyl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-isoindol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Nameformic acid;6-(morpholin-4-ylmethyl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-isoindol-4-yl]pyridine-2-carboxamide
PubChem CID160856865
Molecular FormulaC27H26N6O4
Molecular Weight498.54 g/mol
Exact Mass498.20
IUPAC Nameformic acid;6-(morpholin-4-ylmethyl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-isoindol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2ccnc3[nH]ccc23)cc2c1C=NC2)c1cccc(CN2CCOCC2)n1.O=CO
InChIInChI=1S/C26H24N6O2.CH2O2/c33-26(23-3-1-2-19(30-23)16-32-8-10-34-11-9-32)31-24-13-17(12-18-14-27-15-22(18)24)20-4-6-28-25-21(20)5-7-29-25;2-1-3/h1-7,12-13,15H,8-11,14,16H2,(H,28,29)(H,31,33);1H,(H,2,3)
InChIKeySJYWBKSRIOENDQ-UHFFFAOYSA-N
XLogP3.34
TPSA132.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

formic acid;6-(piperidin-1-ylmethyl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-isoindol-4-yl]pyridine-2-carboxamide
CID 160530211
6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
CID 44540595
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide
CID 44540137
6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
CID 44540140
6-[[16-[[6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2-pyridinyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 164597861
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 58356325
6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-indazol-4-yl]pyridine-2-carboxamide;formic acid
CID 159698795
N-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-2-morpholin-4-ylacetamide
CID 87191863
4-amino-6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid;hydrochloride
CID 138911411
4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 24857728
N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-6-(piperidin-1-ylmethyl)pyridine-2-carboxamide
CID 44540955
6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-4-(methylcarbamothioylamino)pyridine-2-carboxylic acid
CID 135349084

Frequently Asked Questions

What is the IUPAC name of formic acid;6-(morpholin-4-ylmethyl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-isoindol-4-yl]pyridine-2-carboxamide?
The IUPAC name of formic acid;6-(morpholin-4-ylmethyl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-isoindol-4-yl]pyridine-2-carboxamide (CID 160856865) is formic acid;6-(morpholin-4-ylmethyl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-isoindol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for formic acid;6-(morpholin-4-ylmethyl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-isoindol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for formic acid;6-(morpholin-4-ylmethyl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-isoindol-4-yl]pyridine-2-carboxamide is O=C(Nc1cc(-c2ccnc3[nH]ccc23)cc2c1C=NC2)c1cccc(CN2CCOCC2)n1.O=CO.
What is the InChIKey of formic acid;6-(morpholin-4-ylmethyl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-isoindol-4-yl]pyridine-2-carboxamide?
The InChIKey is SJYWBKSRIOENDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2.CH2O2/c33-26(23-3-1-2-19(30-23)16-32-8-10-34-11-9-32)31-24-13-17(12-18-14-27-15-22(18)24)20-4-6-28-25-21(20)5-7-29-25;2-1-3/h1-7,12-13,15H,8-11,14,16H2,(H,28,29)(H,31,33);1H,(H,2,3).
What are the key properties of formic acid;6-(morpholin-4-ylmethyl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-isoindol-4-yl]pyridine-2-carboxamide?
formic acid;6-(morpholin-4-ylmethyl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-isoindol-4-yl]pyridine-2-carboxamide has a molecular weight of 498.54 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;6-(morpholin-4-ylmethyl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-isoindol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 160856865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).