2-bromo-3-methoxypyridine;tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]quinazolin-6-yl]-methylamino]ethanol;1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride

C79H109BrClF2N17O11 — CID 159937687

IUPAC2-bromo-3-methoxypyridine;tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]quinazolin-6-yl]-methylamino]ethanol;1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCCCC1.CN(CCO)c1ccc2nc(C3(F)CC3)[nH]c(=O)c2c1.COc1cccnc1Br.COc1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1.COc1cccnc1N1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)CC1.COc1cccnc1N1CCNCC1.Cl
InChIInChI=1S/C24H29FN6O2.C15H23N3O3.C14H16FN3O2.C10H15N3O.C10H19NO2.C6H6BrNO.ClH/c1-29(14-15-32)17-5-6-19-18(16-17)21(28-23(27-19)24(25)7-8-24)30-10-12-31(13-11-30)22-20(33-2)4-3-9-26-22;1-15(2,3)21-14(19)18-10-8-17(9-11-18)13-12(20-4)6-5-7-16-13;1-18(6-7-19)9-2-3-11-10(8-9)12(20)17-13(16-11)14(15)4-5-14;1-14-9-3-2-4-12-10(9)13-7-5-11-6-8-13;1-10(2,3)13-9(12)11-7-5-4-6-8-11;1-9-5-3-2-4-8-6(5)7;/h3-6,9,16,32H,7-8,10-15H2,1-2H3;5-7H,8-11H2,1-4H3;2-3,8,19H,4-7H2,1H3,(H,16,17,20);2-4,11H,5-8H2,1H3;4-8H2,1-3H3;2-4H,1H3;1H
InChIKeyDRCUHEXAWNIPOU-UHFFFAOYSA-N
MW1626.20 g/mol
LogP11.39
Rot. Bonds16

About 2-bromo-3-methoxypyridine;tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]quinazolin-6-yl]-methylamino]ethanol;1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride

2-bromo-3-methoxypyridine;tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]quinazolin-6-yl]-methylamino]ethanol;1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride (PubChem CID 159937687) has the molecular formula C79H109BrClF2N17O11 and a molecular weight of 1626.20 g/mol. Its IUPAC name is 2-bromo-3-methoxypyridine;tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]quinazolin-6-yl]-methylamino]ethanol;1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride.

Molecular Properties

Compound Name2-bromo-3-methoxypyridine;tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]quinazolin-6-yl]-methylamino]ethanol;1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
PubChem CID159937687
Molecular FormulaC79H109BrClF2N17O11
Molecular Weight1626.20 g/mol
Exact Mass1623.73
IUPAC Name2-bromo-3-methoxypyridine;tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]quinazolin-6-yl]-methylamino]ethanol;1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCCCC1.CN(CCO)c1ccc2nc(C3(F)CC3)[nH]c(=O)c2c1.COc1cccnc1Br.COc1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1.COc1cccnc1N1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)CC1.COc1cccnc1N1CCNCC1.Cl
InChIInChI=1S/C24H29FN6O2.C15H23N3O3.C14H16FN3O2.C10H15N3O.C10H19NO2.C6H6BrNO.ClH/c1-29(14-15-32)17-5-6-19-18(16-17)21(28-23(27-19)24(25)7-8-24)30-10-12-31(13-11-30)22-20(33-2)4-3-9-26-22;1-15(2,3)21-14(19)18-10-8-17(9-11-18)13-12(20-4)6-5-7-16-13;1-18(6-7-19)9-2-3-11-10(8-9)12(20)17-13(16-11)14(15)4-5-14;1-14-9-3-2-4-12-10(9)13-7-5-11-6-8-13;1-10(2,3)13-9(12)11-7-5-4-6-8-11;1-9-5-3-2-4-8-6(5)7;/h3-6,9,16,32H,7-8,10-15H2,1-2H3;5-7H,8-11H2,1-4H3;2-3,8,19H,4-7H2,1H3,(H,16,17,20);2-4,11H,5-8H2,1H3;4-8H2,1-3H3;2-4H,1H3;1H
InChIKeyDRCUHEXAWNIPOU-UHFFFAOYSA-N
XLogP11.39
TPSA291.02 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001626.20
LogP ≤ 511.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-3-methoxypyridine;tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]quinazolin-6-yl]-methylamino]ethanol;1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride with MolForge

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Related Compounds

tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate
CID 70571171
2-bromo-3-(cyclopropylmethoxy)pyridine;tert-butyl 4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
CID 157071927
2-cyclopentyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-fluorocyclopentyl)-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-fluorocyclopentyl)quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 159033519
tert-butyl 4-[2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-oxo-3H-quinazolin-6-yl]piperazine-1-carboxylate;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-6-piperazin-1-yl-3H-quinazolin-4-one
CID 167562119
tert-butyl 4-(6-chloro-4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)-4-fluoropiperidine-1-carboxylate;6-chloro-2-(4-fluoropiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;formic acid
CID 167648743
tert-butyl 4-(2-methoxyphenyl)-1,4-diazepane-1-carboxylate;1-(2-methoxyphenyl)-1,4-diazepane
CID 161383472
1-bromo-2-methoxybenzene;tert-butyl 4-(2-methoxyphenyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methane;methanol;1-(2-methoxyphenyl)piperazine;dihydrochloride
CID 159340031
tert-butyl 4-(3-fluoro-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 171323898
tert-butyl 4-(3-bromo-4-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 176508616
tert-butyl 4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperazine-1-carboxylate
CID 58247494
tert-butyl 4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepane-1-carboxylate;8-(1,4-diazepan-1-yl)-6-propan-2-ylquinoline;methane;hydrochloride
CID 160801055
tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 69455005

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methoxypyridine;tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]quinazolin-6-yl]-methylamino]ethanol;1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride?
The IUPAC name of 2-bromo-3-methoxypyridine;tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]quinazolin-6-yl]-methylamino]ethanol;1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride (CID 159937687) is 2-bromo-3-methoxypyridine;tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]quinazolin-6-yl]-methylamino]ethanol;1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride.
What is the SMILES notation for 2-bromo-3-methoxypyridine;tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]quinazolin-6-yl]-methylamino]ethanol;1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride?
The canonical SMILES for 2-bromo-3-methoxypyridine;tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]quinazolin-6-yl]-methylamino]ethanol;1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride is CC(C)(C)OC(=O)N1CCCCC1.CN(CCO)c1ccc2nc(C3(F)CC3)[nH]c(=O)c2c1.COc1cccnc1Br.COc1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1.COc1cccnc1N1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)CC1.COc1cccnc1N1CCNCC1.Cl.
What is the InChIKey of 2-bromo-3-methoxypyridine;tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]quinazolin-6-yl]-methylamino]ethanol;1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride?
The InChIKey is DRCUHEXAWNIPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O2.C15H23N3O3.C14H16FN3O2.C10H15N3O.C10H19NO2.C6H6BrNO.ClH/c1-29(14-15-32)17-5-6-19-18(16-17)21(28-23(27-19)24(25)7-8-24)30-10-12-31(13-11-30)22-20(33-2)4-3-9-26-22;1-15(2,3)21-14(19)18-10-8-17(9-11-18)13-12(20-4)6-5-7-16-13;1-18(6-7-19)9-2-3-11-10(8-9)12(20)17-13(16-11)14(15)4-5-14;1-14-9-3-2-4-12-10(9)13-7-5-11-6-8-13;1-10(2,3)13-9(12)11-7-5-4-6-8-11;1-9-5-3-2-4-8-6(5)7;/h3-6,9,16,32H,7-8,10-15H2,1-2H3;5-7H,8-11H2,1-4H3;2-3,8,19H,4-7H2,1H3,(H,16,17,20);2-4,11H,5-8H2,1H3;4-8H2,1-3H3;2-4H,1H3;1H.
What are the key properties of 2-bromo-3-methoxypyridine;tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]quinazolin-6-yl]-methylamino]ethanol;1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride?
2-bromo-3-methoxypyridine;tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]quinazolin-6-yl]-methylamino]ethanol;1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride has a molecular weight of 1626.20 g/mol, XLogP of 11.39, 16 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methoxypyridine;tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]quinazolin-6-yl]-methylamino]ethanol;1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride is sourced from PubChem (CID 159937687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).