2-methoxy-5-[4-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]amino]quinazolin-6-yl]pyridine-3-carbonitrile

C26H23N7O2 — CID 155533050

IUPAC2-methoxy-5-[4-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]amino]quinazolin-6-yl]pyridine-3-carbonitrile
SMILESCOc1ncc(-c2ccc3ncnc(N[C@H]4CCCN(C(=O)c5cccnc5)C4)c3c2)cc1C#N
InChIInChI=1S/C26H23N7O2/c1-35-25-19(12-27)10-20(14-29-25)17-6-7-23-22(11-17)24(31-16-30-23)32-21-5-3-9-33(15-21)26(34)18-4-2-8-28-13-18/h2,4,6-8,10-11,13-14,16,21H,3,5,9,15H2,1H3,(H,30,31,32)/t21-/m0/s1
InChIKeyLOBJMCQPMNBKQW-NRFANRHFSA-N
MW465.52 g/mol
LogP3.68
Rot. Bonds5

About 2-methoxy-5-[4-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]amino]quinazolin-6-yl]pyridine-3-carbonitrile

2-methoxy-5-[4-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]amino]quinazolin-6-yl]pyridine-3-carbonitrile (PubChem CID 155533050) has the molecular formula C26H23N7O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is 2-methoxy-5-[4-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]amino]quinazolin-6-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-5-[4-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]amino]quinazolin-6-yl]pyridine-3-carbonitrile
PubChem CID155533050
Molecular FormulaC26H23N7O2
Molecular Weight465.52 g/mol
Exact Mass465.19
IUPAC Name2-methoxy-5-[4-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]amino]quinazolin-6-yl]pyridine-3-carbonitrile
SMILESCOc1ncc(-c2ccc3ncnc(N[C@H]4CCCN(C(=O)c5cccnc5)C4)c3c2)cc1C#N
InChIInChI=1S/C26H23N7O2/c1-35-25-19(12-27)10-20(14-29-25)17-6-7-23-22(11-17)24(31-16-30-23)32-21-5-3-9-33(15-21)26(34)18-4-2-8-28-13-18/h2,4,6-8,10-11,13-14,16,21H,3,5,9,15H2,1H3,(H,30,31,32)/t21-/m0/s1
InChIKeyLOBJMCQPMNBKQW-NRFANRHFSA-N
XLogP3.68
TPSA116.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methoxy-5-[4-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]amino]quinazolin-6-yl]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

5-{4-[3-(4-Acetylpiperazine-1-Carbonyl)phenyl]quinazolin-6-Yl}-2-Methoxypyridine-3-Carbonitrile
CID 86732669
4-amino-N-(6-methoxypyridin-3-yl)-2,6-dimethylquinazoline-8-carboxamide
CID 51003485
N-[5-[4-[(1-acetylpiperidin-4-yl)amino]quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 155539520
N-(2-methoxyethyl)-4-[[6-(3-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzamide
CID 71584401
methyl N-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]carbamate
CID 70643905
1-[4-[3-[6-(6-Methoxy-3-pyridinyl)quinazolin-4-yl]benzoyl]piperazin-1-yl]ethanone
CID 71548718
2-Methoxy-5-[4-[3-(4-methylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl]pyridine-3-carbonitrile
CID 71548719
8-Cyclopentyl-2-[(2-methoxyquinolin-6-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 76314279
[3-[6-[6-Methoxy-5-(trifluoromethyl)pyridin-3-yl]quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 89517065
[5-[6-(6-Methoxy-3-pyridinyl)quinazolin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 89517226
2-methoxy-5-[4-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]amino]quinazolin-6-yl]pyridine-3-carbonitrile
CID 141419885
cyclopentyl-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]methanone
CID 145967821

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]amino]quinazolin-6-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-5-[4-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]amino]quinazolin-6-yl]pyridine-3-carbonitrile (CID 155533050) is 2-methoxy-5-[4-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]amino]quinazolin-6-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-5-[4-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]amino]quinazolin-6-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-5-[4-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]amino]quinazolin-6-yl]pyridine-3-carbonitrile is COc1ncc(-c2ccc3ncnc(N[C@H]4CCCN(C(=O)c5cccnc5)C4)c3c2)cc1C#N.
What is the InChIKey of 2-methoxy-5-[4-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]amino]quinazolin-6-yl]pyridine-3-carbonitrile?
The InChIKey is LOBJMCQPMNBKQW-NRFANRHFSA-N. The full InChI is InChI=1S/C26H23N7O2/c1-35-25-19(12-27)10-20(14-29-25)17-6-7-23-22(11-17)24(31-16-30-23)32-21-5-3-9-33(15-21)26(34)18-4-2-8-28-13-18/h2,4,6-8,10-11,13-14,16,21H,3,5,9,15H2,1H3,(H,30,31,32)/t21-/m0/s1.
What are the key properties of 2-methoxy-5-[4-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]amino]quinazolin-6-yl]pyridine-3-carbonitrile?
2-methoxy-5-[4-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]amino]quinazolin-6-yl]pyridine-3-carbonitrile has a molecular weight of 465.52 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]amino]quinazolin-6-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 155533050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).