tert-butyl 4-[[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]quinazolin-4-yl]amino]piperidine-1-carboxylate

C25H32N6O5S — CID 155534617

IUPACtert-butyl 4-[[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]quinazolin-4-yl]amino]piperidine-1-carboxylate
SMILESCOc1ncc(-c2ccc3ncnc(NC4CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C25H32N6O5S/c1-25(2,3)36-24(32)31-10-8-18(9-11-31)29-22-19-12-16(6-7-20(19)27-15-28-22)17-13-21(30-37(5,33)34)23(35-4)26-14-17/h6-7,12-15,18,30H,8-11H2,1-5H3,(H,27,28,29)
InChIKeyUFEQPWHMNNXSFT-UHFFFAOYSA-N
MW528.64 g/mol
LogP3.88
Rot. Bonds6

About tert-butyl 4-[[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]quinazolin-4-yl]amino]piperidine-1-carboxylate

tert-butyl 4-[[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]quinazolin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 155534617) has the molecular formula C25H32N6O5S and a molecular weight of 528.64 g/mol. Its IUPAC name is tert-butyl 4-[[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]quinazolin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]quinazolin-4-yl]amino]piperidine-1-carboxylate
PubChem CID155534617
Molecular FormulaC25H32N6O5S
Molecular Weight528.64 g/mol
Exact Mass528.22
IUPAC Nametert-butyl 4-[[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]quinazolin-4-yl]amino]piperidine-1-carboxylate
SMILESCOc1ncc(-c2ccc3ncnc(NC4CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C25H32N6O5S/c1-25(2,3)36-24(32)31-10-8-18(9-11-31)29-22-19-12-16(6-7-20(19)27-15-28-22)17-13-21(30-37(5,33)34)23(35-4)26-14-17/h6-7,12-15,18,30H,8-11H2,1-5H3,(H,27,28,29)
InChIKeyUFEQPWHMNNXSFT-UHFFFAOYSA-N
XLogP3.88
TPSA135.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.64
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-[[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]quinazolin-4-yl]amino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 155513615
2,4-difluoro-N-[2-methoxy-5-[4-[[1-[(E)-4-oxopent-2-enoyl]pyrrolidin-3-yl]amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 176737023
5-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]pyridine-3-carboxylic acid
CID 130446833
methyl 3-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-4-carboxylate
CID 156518071
2,6-difluoro-N-[2-methoxy-5-[4-[4-[(E)-4-oxopent-2-enoyl]piperazin-1-yl]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 171852872
tert-butyl 4-[(6-chloro-5-methanimidoylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 58270352
2,4-difluoro-N-[5-[4-[4-(3-hydroxy-2-methylbutanoyl)piperazin-1-yl]quinazolin-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 175876087
N-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide
CID 167848756
4-N,4-N-dimethyl-1-N-[6-(5-methylsulfonyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine
CID 130446877
4-[[6-(6-fluoro-5-hydroxy-3-pyridinyl)quinazolin-4-yl]amino]cyclohexan-1-one
CID 121254796
2,4-difluoro-N-[2-methoxy-5-[4-[4-(5-oxooxolane-2-carbonyl)piperazin-1-yl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 70666718
tert-butyl (3S)-3-[[9-ethyl-8-(6-methoxy-3-pyridinyl)purin-6-yl]amino]pyrrolidine-1-carboxylate
CID 90168703

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]quinazolin-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]quinazolin-4-yl]amino]piperidine-1-carboxylate (CID 155534617) is tert-butyl 4-[[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]quinazolin-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]quinazolin-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]quinazolin-4-yl]amino]piperidine-1-carboxylate is COc1ncc(-c2ccc3ncnc(NC4CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1NS(C)(=O)=O.
What is the InChIKey of tert-butyl 4-[[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]quinazolin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is UFEQPWHMNNXSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O5S/c1-25(2,3)36-24(32)31-10-8-18(9-11-31)29-22-19-12-16(6-7-20(19)27-15-28-22)17-13-21(30-37(5,33)34)23(35-4)26-14-17/h6-7,12-15,18,30H,8-11H2,1-5H3,(H,27,28,29).
What are the key properties of tert-butyl 4-[[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]quinazolin-4-yl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]quinazolin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 528.64 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]quinazolin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 155534617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).