N-iodophosphanyloxymethanamine;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine

C33H43IN7O3P — CID 142373385

IUPACN-iodophosphanyloxymethanamine;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine
SMILESCNOPI.Cc1ccc(N2CCOCC2)cc1.Cc1nc(-c2ccc3cnn(CCCCCCC=O)c3c2)cn2ccnc12
InChIInChI=1S/C21H23N5O.C11H15NO.CH5INOP/c1-16-21-22-9-11-25(21)15-19(24-16)17-7-8-18-14-23-26(20(18)13-17)10-5-3-2-4-6-12-27;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-3-4-5-2/h7-9,11-15H,2-6,10H2,1H3;2-5H,6-9H2,1H3;3,5H,1H3
InChIKeyFVWGFRZEJHLATJ-UHFFFAOYSA-N
MW743.63 g/mol
LogP7.12
Rot. Bonds11

About N-iodophosphanyloxymethanamine;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine

N-iodophosphanyloxymethanamine;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine (PubChem CID 142373385) has the molecular formula C33H43IN7O3P and a molecular weight of 743.63 g/mol. Its IUPAC name is N-iodophosphanyloxymethanamine;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine.

Molecular Properties

Compound NameN-iodophosphanyloxymethanamine;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine
PubChem CID142373385
Molecular FormulaC33H43IN7O3P
Molecular Weight743.63 g/mol
Exact Mass743.22
IUPAC NameN-iodophosphanyloxymethanamine;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine
SMILESCNOPI.Cc1ccc(N2CCOCC2)cc1.Cc1nc(-c2ccc3cnn(CCCCCCC=O)c3c2)cn2ccnc12
InChIInChI=1S/C21H23N5O.C11H15NO.CH5INOP/c1-16-21-22-9-11-25(21)15-19(24-16)17-7-8-18-14-23-26(20(18)13-17)10-5-3-2-4-6-12-27;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-3-4-5-2/h7-9,11-15H,2-6,10H2,1H3;2-5H,6-9H2,1H3;3,5H,1H3
InChIKeyFVWGFRZEJHLATJ-UHFFFAOYSA-N
XLogP7.12
TPSA98.81 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.63
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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N-hydroxy-7-[2-(1H-indazol-6-yl)-6-morpholin-4-ylpurin-9-yl]heptanamide
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US9266891, III-15
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5-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine
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(2S,6R)-2,6-dimethyl-4-[3-(1-methylindazol-6-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine
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Frequently Asked Questions

What is the IUPAC name of N-iodophosphanyloxymethanamine;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine?
The IUPAC name of N-iodophosphanyloxymethanamine;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine (CID 142373385) is N-iodophosphanyloxymethanamine;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine.
What is the SMILES notation for N-iodophosphanyloxymethanamine;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine?
The canonical SMILES for N-iodophosphanyloxymethanamine;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine is CNOPI.Cc1ccc(N2CCOCC2)cc1.Cc1nc(-c2ccc3cnn(CCCCCCC=O)c3c2)cn2ccnc12.
What is the InChIKey of N-iodophosphanyloxymethanamine;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine?
The InChIKey is FVWGFRZEJHLATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O.C11H15NO.CH5INOP/c1-16-21-22-9-11-25(21)15-19(24-16)17-7-8-18-14-23-26(20(18)13-17)10-5-3-2-4-6-12-27;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-3-4-5-2/h7-9,11-15H,2-6,10H2,1H3;2-5H,6-9H2,1H3;3,5H,1H3.
What are the key properties of N-iodophosphanyloxymethanamine;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine?
N-iodophosphanyloxymethanamine;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine has a molecular weight of 743.63 g/mol, XLogP of 7.12, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodophosphanyloxymethanamine;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine is sourced from PubChem (CID 142373385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).