4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide

C23H27FN6O3 — CID 90155312

IUPAC4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide
SMILESCOc1ncnc2ccc(Nc3cc(NC4CC4)c(C(=O)NC[C@@H](F)C(C)(C)O)cn3)cc12
InChIInChI=1S/C23H27FN6O3/c1-23(2,32)19(24)11-26-21(31)16-10-25-20(9-18(16)29-13-4-5-13)30-14-6-7-17-15(8-14)22(33-3)28-12-27-17/h6-10,12-13,19,32H,4-5,11H2,1-3H3,(H,26,31)(H2,25,29,30)/t19-/m1/s1
InChIKeyVIWAJXUPGSBVKK-LJQANCHMSA-N
MW454.51 g/mol
LogP3.19
Rot. Bonds9

About 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide

4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide (PubChem CID 90155312) has the molecular formula C23H27FN6O3 and a molecular weight of 454.51 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide
PubChem CID90155312
Molecular FormulaC23H27FN6O3
Molecular Weight454.51 g/mol
Exact Mass454.21
IUPAC Name4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide
SMILESCOc1ncnc2ccc(Nc3cc(NC4CC4)c(C(=O)NC[C@@H](F)C(C)(C)O)cn3)cc12
InChIInChI=1S/C23H27FN6O3/c1-23(2,32)19(24)11-26-21(31)16-10-25-20(9-18(16)29-13-4-5-13)30-14-6-7-17-15(8-14)22(33-3)28-12-27-17/h6-10,12-13,19,32H,4-5,11H2,1-3H3,(H,26,31)(H2,25,29,30)/t19-/m1/s1
InChIKeyVIWAJXUPGSBVKK-LJQANCHMSA-N
XLogP3.19
TPSA121.29 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide with MolForge

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Related Compounds

Bms-986202
CID 155981972
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CID 157028749
6-(cyclopropanecarbonylamino)-4-(5-fluoro-2-methoxy-3-pyrimidin-2-ylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 157028776
3-{[3-Carbamoyl-7-(2,4-Dimethoxypyrimidin-5-Yl)quinolin-4-Yl]amino}benzoic Acid
CID 57336253
4-amino-N-(6-methoxypyridin-3-yl)-2,6-dimethylquinazoline-8-carboxamide
CID 51003485
4-[6-(prop-2-enoylamino)quinazolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 121273603
4-[1-[3-[(6-Methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide
CID 46868887
4-[[(1R)-1-[3-[(2-methoxypyridine-4-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 46869106
4-[[(1R)-1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 46869845
4-[1-[3-[(6-Methoxypyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
CID 66763098
4-{3-[(6-Methoxy-pyridine-3-carbonyl)-amino]-benzylamino}-quinazoline-8-carboxylic acid amide
CID 66763406
4-[1-[3-[(2-Ethoxypyridine-4-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
CID 66763824

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide (CID 90155312) is 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide is COc1ncnc2ccc(Nc3cc(NC4CC4)c(C(=O)NC[C@@H](F)C(C)(C)O)cn3)cc12.
What is the InChIKey of 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide?
The InChIKey is VIWAJXUPGSBVKK-LJQANCHMSA-N. The full InChI is InChI=1S/C23H27FN6O3/c1-23(2,32)19(24)11-26-21(31)16-10-25-20(9-18(16)29-13-4-5-13)30-14-6-7-17-15(8-14)22(33-3)28-12-27-17/h6-10,12-13,19,32H,4-5,11H2,1-3H3,(H,26,31)(H2,25,29,30)/t19-/m1/s1.
What are the key properties of 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide?
4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide has a molecular weight of 454.51 g/mol, XLogP of 3.19, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 90155312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).