[3-amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]methanol

C44H39N5O — CID 126676408

IUPAC[3-amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]methanol
SMILESNc1c(CO)cc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1N(N)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H39N5O/c45-41-33(32-50)31-40(48-43(34-19-7-1-8-20-34,35-21-9-2-10-22-35)36-23-11-3-12-24-36)47-42(41)49(46)44(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39/h1-31,50H,32,45-46H2,(H,47,48)
InChIKeyUOLNXBMSQADBOE-UHFFFAOYSA-N
MW653.83 g/mol
LogP8.23
Rot. Bonds11

About [3-amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]methanol

[3-amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]methanol (PubChem CID 126676408) has the molecular formula C44H39N5O and a molecular weight of 653.83 g/mol. Its IUPAC name is [3-amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]methanol
PubChem CID126676408
Molecular FormulaC44H39N5O
Molecular Weight653.83 g/mol
Exact Mass653.32
IUPAC Name[3-amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]methanol
SMILESNc1c(CO)cc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1N(N)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H39N5O/c45-41-33(32-50)31-40(48-43(34-19-7-1-8-20-34,35-21-9-2-10-22-35)36-23-11-3-12-24-36)47-42(41)49(46)44(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39/h1-31,50H,32,45-46H2,(H,47,48)
InChIKeyUOLNXBMSQADBOE-UHFFFAOYSA-N
XLogP8.23
TPSA100.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 58.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [3-amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-Trityl-5-(tritylamino)triazolo[4,5-b]pyridin-7-yl]methanol
CID 126676404
6-[amino(trityl)amino]-4-(bromomethyl)-2-N-tritylpyridine-2,5-diamine
CID 126676444
1-[5-(tritylamino)-2H-triazolo[4,5-b]pyridin-7-yl]butan-1-ol
CID 130432020
3-[3-Amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]prop-2-yn-1-ol
CID 130435797
(E)-3-[3-amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]but-2-en-1-ol
CID 130435919
(Z)-3-iodo-3-[3-trityl-5-(tritylamino)-1,2-dihydrotriazolo[4,5-b]pyridin-7-yl]prop-2-en-1-ol
CID 130435922
3-[3-Amino-2,6-bis(tritylamino)-4-pyridinyl]prop-2-yn-1-ol
CID 130450634
6-[amino(trityl)amino]-4-(3-cyclohexyloxy-1-phenylpropyl)-2-N-tritylpyridine-2,5-diamine
CID 130450646
(3R)-3-[3-amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]-3-phenylpropan-1-ol
CID 130450721
6-[amino(trityl)amino]-4-(3-bromo-1-phenylpropyl)-2-N-tritylpyridine-2,5-diamine
CID 130450943
3-Phenyl-3-[3-trityl-5-(tritylamino)-1,2-dihydrotriazolo[4,5-b]pyridin-7-yl]propan-1-ol
CID 130451135
3-[3-Amino-2,6-bis(tritylamino)-4-pyridinyl]-3-phenylpropan-1-ol
CID 130451136

Frequently Asked Questions

What is the IUPAC name of [3-amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]methanol?
The IUPAC name of [3-amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]methanol (CID 126676408) is [3-amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]methanol.
What is the SMILES notation for [3-amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]methanol?
The canonical SMILES for [3-amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]methanol is Nc1c(CO)cc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1N(N)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]methanol?
The InChIKey is UOLNXBMSQADBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H39N5O/c45-41-33(32-50)31-40(48-43(34-19-7-1-8-20-34,35-21-9-2-10-22-35)36-23-11-3-12-24-36)47-42(41)49(46)44(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39/h1-31,50H,32,45-46H2,(H,47,48).
What are the key properties of [3-amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]methanol?
[3-amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]methanol has a molecular weight of 653.83 g/mol, XLogP of 8.23, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]methanol is sourced from PubChem (CID 126676408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).