1-[4-[6,7-dimethoxy-2-(4-pyridin-3-ylpyrazol-1-yl)quinazolin-4-yl]phenyl]ethanone

C26H21N5O3 — CID 162728427

IUPAC1-[4-[6,7-dimethoxy-2-(4-pyridin-3-ylpyrazol-1-yl)quinazolin-4-yl]phenyl]ethanone
SMILESCOc1cc2nc(-n3cc(-c4cccnc4)cn3)nc(-c3ccc(C(C)=O)cc3)c2cc1OC
InChIInChI=1S/C26H21N5O3/c1-16(32)17-6-8-18(9-7-17)25-21-11-23(33-2)24(34-3)12-22(21)29-26(30-25)31-15-20(14-28-31)19-5-4-10-27-13-19/h4-15H,1-3H3
InChIKeyNIFPWCYPIQBCJA-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.76
Rot. Bonds6

About 1-[4-[6,7-dimethoxy-2-(4-pyridin-3-ylpyrazol-1-yl)quinazolin-4-yl]phenyl]ethanone

1-[4-[6,7-dimethoxy-2-(4-pyridin-3-ylpyrazol-1-yl)quinazolin-4-yl]phenyl]ethanone (PubChem CID 162728427) has the molecular formula C26H21N5O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is 1-[4-[6,7-dimethoxy-2-(4-pyridin-3-ylpyrazol-1-yl)quinazolin-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[6,7-dimethoxy-2-(4-pyridin-3-ylpyrazol-1-yl)quinazolin-4-yl]phenyl]ethanone
PubChem CID162728427
Molecular FormulaC26H21N5O3
Molecular Weight451.49 g/mol
Exact Mass451.16
IUPAC Name1-[4-[6,7-dimethoxy-2-(4-pyridin-3-ylpyrazol-1-yl)quinazolin-4-yl]phenyl]ethanone
SMILESCOc1cc2nc(-n3cc(-c4cccnc4)cn3)nc(-c3ccc(C(C)=O)cc3)c2cc1OC
InChIInChI=1S/C26H21N5O3/c1-16(32)17-6-8-18(9-7-17)25-21-11-23(33-2)24(34-3)12-22(21)29-26(30-25)31-15-20(14-28-31)19-5-4-10-27-13-19/h4-15H,1-3H3
InChIKeyNIFPWCYPIQBCJA-UHFFFAOYSA-N
XLogP4.76
TPSA92.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(1E,3Z)-2-[1-(6,7-dimethoxy-4-phenylquinazolin-2-yl)pyrazol-4-yl]-N,N-dimethylpenta-1,3-dien-1-amine
CID 162728437
[4-[1-[4-[6-(dimethylamino)-3-pyridinyl]-6,7-dimethoxyquinazolin-2-yl]pyrazol-4-yl]phenyl]-oxosulfanium
CID 174198576
6-methoxy-2-[4-(4-methylsulfonylphenyl)pyrazol-1-yl]-7-phenylmethoxy-4-thiophen-3-ylquinazoline
CID 178107748
6,7-dimethoxy-2-[4-(4-methylsulfonylphenyl)pyrazol-1-yl]-4-(trifluoromethyl)quinazoline
CID 178107776
4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline
CID 15284500
4-[1-(6,7-dimethoxy-4-thiophen-3-ylquinazolin-2-yl)pyrazol-4-yl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 162728408
2-[(3S)-3-fluoropyrrolidin-1-yl]-6,7-dimethoxy-4-(1-phenylpyrazol-4-yl)quinazoline
CID 178146084
1-(5-pyridin-3-yl-3-pyridinyl)ethanone
CID 20802831
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline;formic acid
CID 162150119
methyl 4-methoxy-3-pyridin-3-ylbenzoate
CID 46317451
6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline
CID 24745292

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6,7-dimethoxy-2-(4-pyridin-3-ylpyrazol-1-yl)quinazolin-4-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[6,7-dimethoxy-2-(4-pyridin-3-ylpyrazol-1-yl)quinazolin-4-yl]phenyl]ethanone (CID 162728427) is 1-[4-[6,7-dimethoxy-2-(4-pyridin-3-ylpyrazol-1-yl)quinazolin-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[6,7-dimethoxy-2-(4-pyridin-3-ylpyrazol-1-yl)quinazolin-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[6,7-dimethoxy-2-(4-pyridin-3-ylpyrazol-1-yl)quinazolin-4-yl]phenyl]ethanone is COc1cc2nc(-n3cc(-c4cccnc4)cn3)nc(-c3ccc(C(C)=O)cc3)c2cc1OC.
What is the InChIKey of 1-[4-[6,7-dimethoxy-2-(4-pyridin-3-ylpyrazol-1-yl)quinazolin-4-yl]phenyl]ethanone?
The InChIKey is NIFPWCYPIQBCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3/c1-16(32)17-6-8-18(9-7-17)25-21-11-23(33-2)24(34-3)12-22(21)29-26(30-25)31-15-20(14-28-31)19-5-4-10-27-13-19/h4-15H,1-3H3.
What are the key properties of 1-[4-[6,7-dimethoxy-2-(4-pyridin-3-ylpyrazol-1-yl)quinazolin-4-yl]phenyl]ethanone?
1-[4-[6,7-dimethoxy-2-(4-pyridin-3-ylpyrazol-1-yl)quinazolin-4-yl]phenyl]ethanone has a molecular weight of 451.49 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6,7-dimethoxy-2-(4-pyridin-3-ylpyrazol-1-yl)quinazolin-4-yl]phenyl]ethanone is sourced from PubChem (CID 162728427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).